!SUPPLEMENT DATA FOR !"A KINETIC MODELING STUDY ON THE OXIDATION OF PRIMARY REFERENCE FUEL-TOLUENE MIXTURES INCLUDING CROSS REACTIONS BETWEEN AROMATICS AND ALIPHATICS" !YASUYUKI SAKAI, AKIRA MIYOSHI, MITSUO KOSHI AND WILLIAM J. PITZ !------------------------------------------------------------------------------- !------------------------------------------------------------------------------- !GASOLINE SURROGATE FUEL OXIDATION MECHANISM !THIS MECHANISM CONTAINS THE OXIDATION OF N-HEPTANE, ISO-OCTANE, ETHANOL, !ETHYL TERT-BUTYL ETHER AND TOLUENE. ! !THIS KINETIC MODEL HAS BEEN CONSTRUCTED BASED ON PRF/ETBE/ETHANOL MODEL BY T.OGURA, TOLUENE MODEL BY W.J. PITZ.! ! !REFERENCE !OGURA, T., SAKAI, Y., MIYOSHI, A., KOSHI, M., DAGAUT, P., MODELING OF THE OXIDATION OF PRIMARY REFERENCE FUEL IN THE PRESENCE OF OXYGENATED IMPROVERS: ETHYL TERT-BUTYL ETHER AND ETHANOL, ENERGY & FUELS 21 (2007) 3233-3239. !SAKAI, Y., INAMURA, T., OGURA, T., KOSHI, M, PITZ, W.J., DETAILED KINETIC MODELING OF TOLUENE COMBUSTION OVER A WIDE RANGE OF TEMPERATURE AND PRESSURE, SAE PAPER, JSAE 20077139/SAE 2007-01-1885 (2007). !SAKAI, Y., OZAWA, H., OGURA, T., MIYOSHI, A., KOSHI, M., PITZ, W.J., EFFECTS OF TOLUENE ADDITION TO PRIMARY REFERENCE FUEL AT HIGH TEMPERATURE, SAE PAPER, SAE2007-01-4104 (2007). !PITZ, W.J., SEISER, R., BOZZELLI, J.W., DA COSTA, I., FOURNET, R., BILLAUD, F., BATTIN-LECLERC, F., SESHADRI, K., WESTBROOK, C.K., CHEMICAL KINETIC CHARACTERIZATION OF THE COMBUSTION OF TOLUENE, PROC. OF THE 2ND JOINT MEETING OF THE U.S. SECTIONS OF THE COMBUSTION INSTITUTE (2001). !------------------------------------------------------------------------------- !------------------------------------------------------------------------------- ELEMENTS C H O N AR NE HE END !------------------------------------------------------------------------------- !------------------------------------------------------------------------------- SPECIES !*****************************PRF_ETBE_V7F************************************** NC7H16 IC8H18 NC7H15A NC7H15B NC7H15C NC7H15D C6H13A C5H11A NC3H7 NC4H9 IC8H17A IC8H17B IC8H17C IC8H17D C7H15A TC4H9 IC4H9 C5H11B IC3H7 C7H15OOA C7H15OA C3H6 C7H15OOB C7H15OB C6H12A N1C4H8 C7H15OOC C7H15OC C5H10A C7H15OOD C7H15OD C6H13B C6H13C C6H13OOA C6H13OA C5H11C C5H11OOA C5H11OA NC3H7OO NC3H7O NC4H9OO NC4H9O C7H14A IC4H8 C8H17OOA C8H17OA C7H14B C7H14C C8H17OOB C8H17OB C8H17OOC C8H17OC C7H14D C8H17OOD C8H17OD C7H15OOE C7H15OE TC4H9OO TC4H9O IC4H9OO IC4H9O C5H11OOB C5H11OB IC3H7OO IC3H7O C7H14E C7H14OOHA C7H14OOHB C7H14OOHC C7H15OOHA AC3H5 C7H14F C7H14OOHD C7H14OOHE C7H14OOHF C7H14OOHG C7H15OOHB C5H11CHOA C6H11A NC4H7A C7H14G C7H14OOHH C7H14OOHI C7H14OOHJ C7H14OOHK C7H14OOHL C7H15OOHC C4H9CHOA C2H5CHO C5H9A C7H14OOHM C7H14OOHN C7H14OOHO C7H15OOHD NC3H7CHO C6H13OOB C6H13OB C6H13OOC C6H13OC C6H12OOHA C6H12OOHB C6H12OOHC C6H13OOHA C5H11OOC C5H11OC C5H10OOHA C5H10OOHB C5H10OOHC C5H11OOHA C3H6OOHAB C3H6OOHAC NC3H7OOH C4H8OOHAB C4H8OOHAC C4H8OOHAD NC4H9OOH C7H13A C6H13D IC4H7A C8H16OOHA C8H16OOHB C8H16OOHC C8H17OOHA C7H13B CH3CHCHO C7H13C IC3H6VCHO C8H16A C8H16OOHD C8H16OOHE C8H16OOHF C8H17OOHB C4H9CHOB IC3H7CHO C8H16B C8H16OOHG C8H16OOHH C8H16OOHI C8H17OOHC C6H14COA CH3COCH3 C6H13E C8H16OOHJ C8H16OOHK C8H16OOHL C8H17OOHD C7H15B C7H14OOHP C7H14OOHQ C7H14OOHR C7H14OOHS C7H15OOHE C5H12COA C4H8OOHTI TC4H9OOH C4H8OOHIT C4H8OOHII IC4H9OOH C5H10OOHD C5H11OOHB C3H6OOHBA IC3H7OOH C7H13D C7H14CYOA HOOC7H14OOA C7H14CYOB HOOC7H14OOB C7H14CYOC HOOC7H14OOC C7H13E C5H10VCHOA C7H14CYOD HOOC7H14OOD C7H14CYOE HOOC7H14OOE C7H14CYOF HOOC7H14OOF HOOC7H14OOG C5H11COA C4H8VCHOA C7H14CYOG HOOC7H14OOH C7H14CYOH HOOC7H14OOI HOOC7H14OOJ HOOC7H14OOK HOOC7H14OOL C4H9COA C2H5CO HOOC7H14OOM HOOC7H14OON HOOC7H14OOO NC3H7CO C3H6VCHO C6H12B C6H12C C6H12OOHD C6H12OOHE C6H12OOHF C6H12OOHG C6H12OOHH C6H13OOHB C6H12OOHI C6H12OOHJ C6H12OOHK C6H12OOHL C6H13OOHC C6H12CYOA HOOC6H12OOA C6H12CYOB HOOC6H12OOB C6H12CYOC HOOC6H12OOC C5H10B C5H10OOHE C5H10OOHF C5H10OOHG C5H10OOHH C5H11OOHC C5H10CYOA HOOC5H10OOA C5H10CYOB HOOC5H10OOB C5H10CYOC HOOC5H10OOC C3H6CYOAB HOOC3H6OOHAB C3H6CYOAC HOOC3H6OOHAC C4H8CYOAB HOOC4H8OOAB C4H8CYOAC HOOC4H8OOAC C4H8CYOAD HOOC4H8OOAD CH3COCH2 C6H13OOD C6H13OD C8H16CYOA HOOC8H16OOA C8H16CYOB HOOC8H16OOB C8H16CYOC HOOC8H16OOC CH3CHCO IC2H6CCO C8H15A HOOC8H16OOD C8H16CYOD HOOC8H16OOE C8H16CYOE HOOC8H16OOF C4H9COB IC3H7CO HOOC8H16OOG HOOC8H16OOH C8H16CYOF HOOC8H16OOI C6H13VCOA C6H13VCOB C5H11COB C6H13F C6H13OOE C6H13OE HOOC8H16OOJ HOOC8H16OOK C8H16CYOG HOOC8H16OOL C7H15OOF C7H15OF C7H14CYOI HOOC7H14OOP C7H14CYOJ HOOC7H14OOQ C7H14CYOK HOOC7H14OOR C7H14CYOL HOOC7H14OOS C5H11VCOA C5H11VCOB C4H9COC C4H8CYOIT HOOC4H8OOTI HOOC4H8OOIT C4H8CYOII HOOC4H8OOII C5H10CYOD HOOC5H10OOD HOOC3H6OOHBA C5H12CCOA CHOC6H12OOHA CHOC6H12OOHB C4H9VCOA CHOC6H12OOHC C4H10CCOA COC6H13OOHA COC6H13OOHB C2H5COCH2 COC6H13OOHC COC6H13OOHD C3H8CCOA C2H5CHCO COC6H13OOHE COC6H13OOHF COC6H13OOHG COC6H13OOHH COC6H13OOHI COC6H13OOHJ COC6H13OOHK COC6H13OOHL C6H11B C6H12CYOD HOOC6H12OOD C6H12CYOE HOOC6H12OOE HOOC6H12OOF C6H12CYOF HOOC6H12OOG HOOC6H12OOH HOOC6H12OOI HOOC6H12OOJ C6H12CYOG HOOC6H12OOK HOOC6H12OOL CHOC5H10OOHA CHOC5H10OOHB CHOC5H10OOHC C5H9B C5H10CYOE HOOC5H10OOE C5H10CYOF HOOC5H10OOF HOOC5H10OOG HOOC5H10OOH CHOC4H8OOHA CHOC4H8OOHB CHOC4H8OOHC CHOC2H4OOHB CHOC2H4OOHC CHOC3H6OOHAB CHOC3H6OOHAC CHOC3H6OOHAD C6H12D C6H12E C6H12OOHM C6H12OOHN C6H12OOHO C6H12OOHP C6H13OOHD C4H9CHOC CHOC7H14OOHA CHOC7H14OOHB CHOC7H14OOHC COC7H15OOHA COC7H15OOHB COC7H15OOHC C6H14CCOA C4H10CCOB C5H10C C6H13OOF C6H13OF C6H12F C6H12OOHQ C6H12OOHR C6H13OOHE CHOC7H14OOHD CHOC7H14OOHE CHOC7H14OOHF C7H14OOHT C7H14OOHU C7H14OOHV C7H15OOHF C5H11CHOB C5H12CCOB C3H8CCOB CHOC3H6OOHIT CHOC3H6OOHII CHOC4H8OOHD CH3COCH2OOH CH2CH2CHO CH2CH2COCH3 C4H9QCOA C5H11VCOC C5H11QCOA COC5H11OOHA COC5H11OOHB COC5H11OOHC COC5H11OOHD COC5H11OOHE COC5H11OOHF COC5H11OOHG COC5H11OOHH COC5H11OOHI COC4H9OOHA COC4H9OOHB COC4H9OOHC COC4H9OOHD C6H11C C6H11D C5H11D C6H12CYOH HOOC6H12OOM C6H12CYOI HOOC6H12OON C6H12CYOJ HOOC6H12OOO C6H12CYOK HOOC6H12OOP C4H8VCHOB C4H8QCHOA C6H12VCHOA C6H13VCOC C6H13VCOD C5H9C SC4H9 C6H12OOHS C6H12OOHT C6H12OOHU C6H13OOHF C5H11E C6H12CYOL HOOC6H12OOQ C6H12CYOM HOOC6H12OOR C6H12VCHOB C7H14CYOM HOOC7H14OOT C7H14CYON HOOC7H14OOU C7H14CYOO HOOC7H14OOV C5H10VCHOB C5H11F C5H11OOD C5H11OD COC5H11OOHJ COC5H11OOHK COC5H11OOHL C4H10CCOC COC5H11OOHM SC4H9OO SC4H9O C5H10D C6H12CYON HOOC6H12OOS HOOC6H12OOT C6H12CYOO HOOC6H12OOU C5H11OOE C5H11OE CHOC5H10OOHD CHOC5H10OOHE C5H12CCOC COC6H13OOHM COC6H13OOHN COC6H13OOHO C5H11OOF C5H11OF C5H10E C5H10OOHI C5H10OOHJ C5H10OOHK C5H11OOHD C4H9QCOB N2C4H8 C4H8OOHBC C4H8OOHBD C4H8OOHBA SC4H9OOH CHOC5H10OOHF CHOC5H10OOHG CHOC5H10OOHH C5H10OOHL C5H10OOHM C5H10OOHN C5H11OOHE C2H5COCH3 C4H8QCHOB C5H11QCOB C5H10OOHO C5H10OOHP C5H10OOHQ C5H10OOHR C5H11OOHF C5H9D C5H10CYOG HOOC5H10OOI C5H10CYOH HOOC5H10OOJ C5H10CYOI HOOC5H10OOK C4H8CYOBC HOOC4H8OOBC HOOC4H8OOBD HOOC4H8OOBA C4H8VCHOC C5H10CYOJ HOOC5H10OOL HOOC5H10OOM C5H10CYOK HOOC5H10OON CH3CHCOCH3 HOOC5H10OOO C5H10CYOL HOOC5H10OOP HOOC5H10OOQ C5H10CYOM HOOC5H10OOR CHOC4H8OOHE CHOC4H8OOHF CHOC4H8OOHG COC3H7OOHBC COC3H7OOHBD COC3H7OOHBA C3H8CCOC CHOC4H8OOHH CHOC4H8OOHI CHOC4H8OOHJ CHOC4H8OOHK C3H6QCHOB IC3H6QCHO HE AR H H2 O OH H2O O2 HO2 H2O2 N2 CH CH2 CH2(S) CH3 CH4 CO HCO CH2O CH2OH CH3O CH3OH CO2 CH3OO CH3OOH C2H C2H2 C2H3 C2H4 C2H5 C2H6 HCCO CH2CO CH3CO CH2CHO C2H4CYO CH3CHO C2H5O CH3CO2 C2H4OOH C2H5OO C2H5OOH CH3C(O)OO CH3C(O)OOH !FOLLOWING SPECIES ARE ADDED TO INCLUDE OLEFINE (C4H8 AND C3H6) REACTIONS !THOSE ARE TAKEN FROM CPW MECHANISM SC3H5 TC3H5 AC3H4 PC3H4 C3H6OAB ! C3H6OAB IN CPW C3H5O C3H3 C3H2 C4H6 !ETBE SPECIES ETBE CM2OC2H5 CM3OCH2 ETBEA ETBEB ETBEC ETBEOOA ETBEOOB ETBEOOC COOM2OC2H5 CM3OCH2OO ETBEOA ETBEOB ETBEOC COM2OC2H5 CM3OCH2O ETBEOOHA ETBEOOHB ETBEOOHC ETBEOOHD ETBEOOHE CH2CMOOHOC2H5 COOHM2OCHCH3 COOHM2OCH2CH2 CH2CM2OCH2OOH CH2CMOC2H5 CM3OC2H3 ETBECYOA ETBECYOB ETBECYOC ETBECYOD ETBECYOE ETBECYOF HOOETBEOOA HOOETBEOOB HOOETBEOOC HOOETBEOOD HOOETBEOOE CH2OOCOOHMOC2H5 COOHM2OCHOOCH3 COOHM2OCH2CH2OO CH2OOCM2OCH2OOH CHOETBEOOHA CHOETBEOOHB CHOETBEOOHC CHOETBEOOHD CHOETBEOOHE CH2OOHCM2OCHO CHOCMOC2H5 COCMOC2H5 CH3CHOC2H5 COCOM2 CM2OCOCH3 CM3OCO CM3OCHO CM2OCHO C2H5OH CH2CH2OH CH3CHOH CH2OOCH2OH !********************************TOL_V2***************************************** NE HOCHO C2H3CHO C4H2 NC4H3 IC4H3 C7H6 C6H5CH3 C6H5CH2J OC6H4CH3 HOC6H4CH3 OC6H4O HOC6H4CH2 HOC6H4CH2OO HOC6H4CH2O RODC6JDO O*CC*CCJ*O BICPD C6JYOO CY13PD C6H5OH STYR DICYPD CYC5H4CH3 CYC5H9 BICPDJ C*CC(C#C)*C CHDJKO CYPDONE HCOCJ*O CYC5H5OJ CYC5H5OH CYC5H4OH C*OCJOH CPDJONE C*CC*C*O CJ*CC*C*O C*CCJC*O C*CCCJ*O C*CCCO2J O*CC*CC*O CYC4H5O21 O*CC*CCJC*O C*OC*CCJ C5H5O1_1 C2H3CO C4H4 NC4H5 C6H5CH2OOJ C6H5CH2OOH C6H5CH2OJ C6H5CH2OH C6H5CHOH C6H5CHO HOC6H4CH2OOH HOC6H4CHO HOC6H4CO C6H4OH C6H5O2 C6H6 CY13PD5J C6H5OJ FULVENE CYC5H8 CH2CY24PD CYC6H7 C*CC*CCJ LINC6H7 C*CC*CC CH3CY24PD CYC5H7_1 C*CCJC*C O*CJC*CC*C CJ*CC*O O*CHOJ HCOHCO CPDOOH O*CC*CC*CJ C*OCCCJC*O C*OCC*CJ O*CJC*CCC*O C*OCCCJ*O C*OCCC*O C14H14 C14H13 STYLBEN XYLENE IND NAPH C*OCCJC*O C*OCC*O CPDC*C DHCO2J FULVENYL CHDKO C6H5 CPDJCH3 C6H4CH3 C6H5CJO YOC6JDO C*OCJC*O CH3OCO C6H5C2H5 C6H5C2H4 C12H10 PHCCHPH O2C6H4CH3 RODC6J(C)DO OCC*CC*CJC C5H4 C5H3 LC6H5 C6H4 CJC*CC#C C*CC*CCOH OC6H4CH2 !*****************************CROSS REACTION************************************ CR1 CR2 CR3 CR4 CR5 C6H5C2H2 C10H10 C10H9 END !------------------------------------------------------------------------------- !------------------------------------------------------------------------------- REACTIONS CAL/MOLE MOLES !*****************************PRF_ETBE_V7F************************************** NC7H16+H=NC7H15A+H2 3.040E+05 2.760 7200.0 REV / 2.506E+01 3.431 9515.9 / NC7H16+OH=NC7H15A+H2O 1.766E+07 1.800 855.0 REV / 2.201E+04 2.313 18689.8 / NC7H16+O=NC7H15A+OH 4.040E+04 2.780 3380.0 REV / 1.475E+00 3.456 3670.3 / NC7H16+CH3=NC7H15A+CH4 6.460E-08 5.970 5480.0 REV / 2.575E-09 6.285 9244.8 / NC7H16+HO2=NC7H15A+H2O2 1.680E+13 0.000 20440.0 REV / 1.069E+12 -0.061 7584.0 / NC7H16+O2=NC7H15A+HO2 4.200E+13 0.000 50760.0 REV / 1.004E+10 0.396 -2527.7 / NC7H16+CH3O=NC7H15A+CH3OH 3.200E+11 0.000 7000.0 REV / 2.954E+08 0.434 9479.8 / NC7H16+C2H5=NC7H15A+C2H6 1.000E+11 0.000 13400.0 REV / 6.164E+11 -0.263 12913.2 / NC7H16+C2H3=NC7H15A+C2H4 1.000E+12 0.000 18000.0 REV / 5.268E+11 -0.045 24887.2 / NC7H16+CH3OO=NC7H15A+CH3OOH 1.680E+13 0.000 20440.0 REV / 7.706E+12 -0.376 5232.8 / NC7H16+C2H5OO=NC7H15A+C2H5OOH 1.210E+13 0.000 20430.0 REV / 5.498E+12 -0.378 4816.0 / NC7H16+CH3C(O)OO=NC7H15A+CH3C(O)OOH 1.210E+13 0.000 20430.0 REV / 7.575E+11 0.080 23127.8 / NC7H16+H=NC7H15B+H2 1.148E+06 2.490 4124.0 REV / 7.478E+00 3.481 8983.3 / NC7H16+OH=NC7H15B+H2O 1.800E+06 2.000 -1133.0 REV / 1.773E+02 2.832 19245.2 / NC7H16+O=NC7H15B+OH 9.540E+04 2.710 2106.0 REV / 2.752E-01 3.706 4939.8 / NC7H16+CH3=NC7H15B+CH4 5.420E+04 2.260 7287.0 REV / 1.707E+02 2.894 13595.3 / NC7H16+HO2=NC7H15B+H2O2 1.120E+13 0.000 17690.0 REV / 5.631E+10 0.259 7377.4 / NC7H16+O2=NC7H15B+HO2 2.800E+13 0.000 48210.0 REV / 5.290E+08 0.715 -2534.3 / NC7H16+CH3O=NC7H15B+CH3OH 2.200E+11 0.000 5000.0 REV / 1.605E+07 0.753 10023.3 / NC7H16+C2H5=NC7H15B+C2H6 1.000E+11 0.000 10400.0 REV / 4.870E+10 0.056 12456.7 / NC7H16+C2H3=NC7H15B+C2H4 8.000E+11 0.000 16800.0 REV / 3.330E+10 0.275 26230.6 / NC7H16+CH3OO=NC7H15B+CH3OOH 1.120E+13 0.000 17690.0 REV / 4.059E+11 -0.056 5026.2 / NC7H16+C2H5OO=NC7H15B+C2H5OOH 8.060E+12 0.000 17700.0 REV / 2.894E+11 -0.058 4629.4 / NC7H16+CH3C(O)OO=NC7H15B+CH3C(O)OOH 8.060E+12 0.000 17700.0 REV / 3.987E+10 0.399 22941.3 / NC7H16+H=NC7H15C+H2 1.148E+06 2.490 4124.0 REV / 7.478E+00 3.481 8983.3 / NC7H16+OH=NC7H15C+H2O 1.800E+06 2.000 -1133.0 REV / 1.773E+02 2.832 19245.2 / NC7H16+O=NC7H15C+OH 9.540E+04 2.710 2106.0 REV / 2.752E-01 3.706 4939.8 / NC7H16+CH3=NC7H15C+CH4 5.420E+04 2.260 7287.0 REV / 1.707E+02 2.894 13595.3 / NC7H16+HO2=NC7H15C+H2O2 1.120E+13 0.000 17690.0 REV / 5.631E+10 0.259 7377.4 / NC7H16+O2=NC7H15C+HO2 2.800E+13 0.000 48210.0 REV / 5.290E+08 0.715 -2534.3 / NC7H16+CH3O=NC7H15C+CH3OH 2.200E+11 0.000 5000.0 REV / 1.605E+07 0.753 10023.3 / NC7H16+C2H5=NC7H15C+C2H6 1.000E+11 0.000 10400.0 REV / 4.870E+10 0.056 12456.7 / NC7H16+C2H3=NC7H15C+C2H4 8.000E+11 0.000 16800.0 REV / 3.330E+10 0.275 26230.6 / NC7H16+CH3OO=NC7H15C+CH3OOH 1.120E+13 0.000 17690.0 REV / 4.059E+11 -0.056 5026.2 / NC7H16+C2H5OO=NC7H15C+C2H5OOH 8.060E+12 0.000 17700.0 REV / 2.894E+11 -0.058 4629.4 / NC7H16+CH3C(O)OO=NC7H15C+CH3C(O)OOH 8.060E+12 0.000 17700.0 REV / 3.987E+10 0.399 22941.3 / NC7H16+H=NC7H15D+H2 5.740E+05 2.490 4124.0 REV / 7.484E+00 3.481 8983.3 / NC7H16+OH=NC7H15D+H2O 9.000E+05 2.000 -1133.0 REV / 1.774E+02 2.832 19245.2 / NC7H16+O=NC7H15D+OH 4.770E+04 2.710 2106.0 REV / 2.755E-01 3.706 4939.8 / NC7H16+CH3=NC7H15D+CH4 2.710E+04 2.260 7287.0 REV / 1.709E+02 2.894 13595.3 / NC7H16+HO2=NC7H15D+H2O2 5.600E+12 0.000 17690.0 REV / 5.636E+10 0.259 7377.4 / NC7H16+O2=NC7H15D+HO2 1.400E+13 0.000 48210.0 REV / 5.294E+08 0.715 -2534.3 / NC7H16+CH3O=NC7H15D+CH3OH 1.100E+11 0.000 5000.0 REV / 1.606E+07 0.753 10023.3 / NC7H16+C2H5=NC7H15D+C2H6 5.000E+10 0.000 10400.0 REV / 4.875E+10 0.056 12456.7 / NC7H16+C2H3=NC7H15D+C2H4 4.000E+11 0.000 16800.0 REV / 3.333E+10 0.275 26230.6 / NC7H16+CH3OO=NC7H15D+CH3OOH 5.600E+12 0.000 17690.0 REV / 4.063E+11 -0.056 5026.2 / NC7H16+C2H5OO=NC7H15D+C2H5OOH 4.030E+12 0.000 17700.0 REV / 2.896E+11 -0.058 4629.4 / NC7H16+CH3C(O)OO=NC7H15D+CH3C(O)OOH 4.030E+12 0.000 17700.0 REV / 3.991E+10 0.399 22941.3 / NC7H16=CH3+C6H13A 4.363E+23 -1.918 90011.3 REV / 2.000E+13 0.000 0.0 / NC7H16=C2H5+C5H11A 6.611E+25 -2.480 87988.9 REV / 1.600E+13 0.000 0.0 / NC7H16=NC3H7+NC4H9 1.074E+25 -2.217 88474.6 REV / 1.600E+13 0.000 0.0 / IC8H18+H=IC8H17A+H2 4.560E+05 2.760 7200.0 REV / 2.496E+01 3.432 9515.5 / IC8H18+OH=IC8H17A+H2O 2.649E+07 1.800 855.0 REV / 2.192E+04 2.313 18689.4 / IC8H18+O=IC8H17A+OH 6.060E+04 2.780 3380.0 REV / 1.469E+00 3.457 3670.0 / IC8H18+CH3=IC8H17A+CH4 9.690E-08 5.970 5480.0 REV / 2.565E-09 6.285 9244.5 / IC8H18+HO2=IC8H17A+H2O2 2.520E+13 0.000 20440.0 REV / 1.065E+12 -0.060 7583.6 / IC8H18+O2=IC8H17A+HO2 6.300E+13 0.000 50760.0 REV / 1.000E+10 0.396 -2528.1 / IC8H18+CH3O=IC8H17A+CH3OH 4.800E+11 0.000 7000.0 REV / 2.942E+08 0.434 9479.5 / IC8H18+C2H5=IC8H17A+C2H6 1.500E+11 0.000 13400.0 REV / 6.139E+11 -0.263 12912.9 / IC8H18+C2H3=IC8H17A+C2H4 1.500E+12 0.000 18000.0 REV / 5.247E+11 -0.044 24886.8 / IC8H18+CH3OO=IC8H17A+CH3OOH 2.520E+13 0.000 20440.0 REV / 7.675E+12 -0.375 5232.4 / IC8H18+C2H5OO=IC8H17A+C2H5OOH 1.815E+13 0.000 20430.0 REV / 5.476E+12 -0.377 4815.6 / IC8H18+CH3C(O)OO=IC8H17A+CH3C(O)OOH 1.815E+13 0.000 20430.0 REV / 7.545E+11 0.080 23127.5 / IC8H18+H=IC8H17B+H2 5.740E+05 2.490 4124.0 REV / 7.601E+00 3.479 8987.2 / IC8H18+OH=IC8H17B+H2O 9.000E+05 2.000 -1133.0 REV / 1.802E+02 2.830 19249.2 / IC8H18+O=IC8H17B+OH 4.770E+04 2.710 2106.0 REV / 2.797E-01 3.704 4943.7 / IC8H18+CH3=IC8H17B+CH4 2.710E+04 2.260 7287.0 REV / 1.735E+02 2.892 13599.2 / IC8H18+HO2=IC8H17B+H2O2 5.600E+12 0.000 17690.0 REV / 5.724E+10 0.257 7381.4 / IC8H18+O2=IC8H17B+HO2 1.400E+13 0.000 48210.0 REV / 5.377E+08 0.713 -2530.3 / IC8H18+CH3O=IC8H17B+CH3OH 1.100E+11 0.000 5000.0 REV / 1.631E+07 0.752 10027.2 / IC8H18+C2H5=IC8H17B+C2H6 5.000E+10 0.000 10400.0 REV / 4.951E+10 0.054 12460.6 / IC8H18+C2H3=IC8H17B+C2H4 4.000E+11 0.000 16800.0 REV / 3.385E+10 0.273 26234.5 / IC8H18+CH3OO=IC8H17B+CH3OOH 5.600E+12 0.000 17690.0 REV / 4.126E+11 -0.058 5030.1 / IC8H18+C2H5OO=IC8H17B+C2H5OOH 4.030E+12 0.000 17700.0 REV / 2.942E+11 -0.060 4633.3 / IC8H18+CH3C(O)OO=IC8H17B+CH3C(O)OOH 4.030E+12 0.000 17700.0 REV / 4.053E+10 0.397 22945.2 / IC8H18+H=IC8H17C+H2 1.260E+14 0.000 7300.0 REV / 6.590E+08 1.166 14001.6 / ! IC8H18+OH=IC8H17C+H2O 5.730E+10 0.510 63.0 ! REV / 4.532E+06 1.517 22283.5 / IC8H18+OH=IC8H17C+H2O 3.500E+06 2.000 -700.0 !V7F IC8H18+O=IC8H17C+OH 3.830E+05 2.410 1140.0 REV / 8.872E-01 3.581 5816.0 / IC8H18+CH3=IC8H17C+CH4 8.960E+03 2.330 6147.0 REV / 2.266E+01 3.140 14297.5 / IC8H18+HO2=IC8H17C+H2O2 2.160E+12 0.000 14400.0 REV / 8.721E+09 0.434 5929.7 / IC8H18+O2=IC8H17C+HO2 2.000E+13 0.000 41300.0 REV / 3.034E+08 0.891 -7602.0 / IC8H18+CH3O=IC8H17C+CH3OH 1.900E+10 0.000 2800.0 REV / 1.113E+06 0.929 9665.5 / IC8H18+C2H5=IC8H17C+C2H6 1.000E+11 0.000 7900.0 REV / 3.911E+10 0.232 11798.9 / IC8H18+C2H3=IC8H17C+C2H4 2.000E+11 0.000 14300.0 REV / 6.685E+09 0.450 25572.8 / IC8H18+CH3OO=IC8H17C+CH3OOH 2.000E+12 0.000 14000.0 REV / 5.820E+10 0.119 3178.4 / IC8H18+C2H5OO=IC8H17C+C2H5OOH 2.000E+12 0.000 16000.0 REV / 5.766E+10 0.117 4771.7 / IC8H18+CH3C(O)OO=IC8H17C+CH3C(O)OOH 2.000E+12 0.000 16000.0 REV / 7.944E+09 0.575 23083.5 / IC8H18+H=IC8H17D+H2 3.040E+05 2.760 7200.0 REV / 4.990E+01 3.432 9515.5 / IC8H18+OH=IC8H17D+H2O 1.766E+07 1.800 855.0 REV / 4.383E+04 2.313 18689.4 / IC8H18+O=IC8H17D+OH 4.040E+04 2.780 3380.0 REV / 2.937E+00 3.457 3670.0 / IC8H18+CH3=IC8H17D+CH4 6.460E-08 5.970 5480.0 REV / 5.127E-09 6.285 9244.5 / IC8H18+HO2=IC8H17D+H2O2 1.680E+13 0.000 20440.0 REV / 2.129E+12 -0.060 7583.6 / IC8H18+O2=IC8H17D+HO2 4.200E+13 0.000 50760.0 REV / 1.999E+10 0.396 -2528.1 / IC8H18+CH3O=IC8H17D+CH3OH 3.200E+11 0.000 7000.0 REV / 5.882E+08 0.434 9479.5 / IC8H18+C2H5=IC8H17D+C2H6 1.000E+11 0.000 13400.0 REV / 1.227E+12 -0.263 12912.9 / IC8H18+C2H3=IC8H17D+C2H4 1.000E+12 0.000 18000.0 REV / 1.049E+12 -0.044 24886.8 / IC8H18+CH3OO=IC8H17D+CH3OOH 1.680E+13 0.000 20440.0 REV / 1.534E+13 -0.375 5232.4 / IC8H18+C2H5OO=IC8H17D+C2H5OOH 1.210E+13 0.000 20430.0 REV / 1.095E+13 -0.377 4815.6 / IC8H18+CH3C(O)OO=IC8H17D+CH3C(O)OOH 1.210E+13 0.000 20430.0 REV / 1.508E+12 0.080 23127.5 / IC8H18=CH3+C7H15A 1.849E+27 -2.734 88550.0 REV / 3.000E+13 0.000 0.0 / IC8H18=TC4H9+IC4H9 7.708E+27 -3.095 87054.7 REV / 8.000E+12 0.000 0.0 / IC8H18=C5H11B+IC3H7 1.304E+26 -2.629 88268.6 REV / 8.000E+12 0.000 0.0 / NC7H15A=C2H4+C5H11A 2.603E+19 -2.022 30951.6 REV / 8.500E+10 0.000 7800.0 / NC7H15A=NC7H15D 2.540E+09 0.350 19760.0 REV / 4.018E+08 0.669 22303.5 / NC7H15A=NC7H15C 4.280E+11 -1.050 11760.0 REV / 3.382E+10 -0.731 14303.5 / NC7H15A+O2=C7H15OOA 1.000E+12 0.000 -830.0 REV / 8.039E+19 -1.742 32481.0 / NC7H15A+HO2=>C7H15OA+OH 7.000E+12 0.000 -1000.0 NC7H15A+CH3OO=>C7H15OA+CH3O 7.000E+12 0.000 -1000.0 NC7H15B=C3H6+NC4H9 1.029E+19 -1.804 30540.6 REV / 8.500E+10 0.000 7800.0 / NC7H15B=NC7H15C 3.220E+09 0.130 20700.0 REV / 3.220E+09 0.130 20700.0 / NC7H15B+O2=C7H15OOB 1.000E+12 0.000 -1300.0 REV / 1.329E+22 -2.312 33906.3 / NC7H15B+HO2=>C7H15OB+OH 7.000E+12 0.000 -1000.0 NC7H15B+CH3OO=>C7H15OB+CH3O 7.000E+12 0.000 -1000.0 NC7H15C=C6H12A+CH3 2.600E+17 -1.447 32180.3 REV / 8.500E+10 0.000 7800.0 / NC7H15C=N1C4H8+NC3H7 7.980E+18 -1.746 30640.3 REV / 8.500E+10 0.000 7800.0 / NC7H15C+O2=C7H15OOC 1.000E+12 0.000 -1300.0 REV / 1.329E+22 -2.312 33906.3 / NC7H15C+HO2=>C7H15OC+OH 7.000E+12 0.000 -1000.0 NC7H15C+CH3OO=>C7H15OC+CH3O 7.000E+12 0.000 -1000.0 NC7H15D=C5H10A+C2H5 1.969E+20 -2.008 30155.2 REV / 1.700E+11 0.000 7800.0 / NC7H15D+O2=C7H15OOD 1.000E+12 0.000 -1300.0 REV / 6.641E+21 -2.312 33906.3 / NC7H15D+HO2=>C7H15OD+OH 7.000E+12 0.000 -1000.0 NC7H15D+CH3OO=>C7H15OD+CH3O 7.000E+12 0.000 -1000.0 C6H13A=C2H4+NC4H9 2.604E+19 -2.022 30954.4 REV / 8.500E+10 0.000 7800.0 / C6H13A=C6H13B 2.540E+09 0.350 19760.0 REV / 2.017E+08 0.669 22301.6 / C6H13A=C6H13C 4.280E+11 -1.050 11760.0 REV / 3.398E+10 -0.731 14301.6 / C6H13A+O2=C6H13OOA 1.000E+12 0.000 -830.0 REV / 7.250E+19 -1.729 32460.6 / C6H13A+HO2=>C6H13OA+OH 7.000E+12 0.000 -1000.0 C6H13A+CH3OO=>C6H13OA+CH3O 7.000E+12 0.000 -1000.0 C5H11A=C2H4+NC3H7 2.643E+19 -2.024 30956.4 REV / 8.500E+10 0.000 7800.0 / C5H11A=C5H11C 2.540E+09 0.350 19760.0 REV / 2.027E+08 0.668 22305.1 / C5H11A+O2=C5H11OOA 1.000E+12 0.000 -830.0 REV / 6.277E+19 -1.710 32438.7 / C5H11A+HO2=>C5H11OA+OH 7.000E+12 0.000 -1000.0 C5H11A+CH3OO=>C5H11OA+CH3O 7.000E+12 0.000 -1000.0 NC3H7=C2H4+CH3 8.465E+17 -1.722 32491.1 REV / 8.500E+10 0.000 7800.0 / NC3H7+O2=NC3H7OO 1.000E+12 0.000 -830.0 REV / 4.000E+19 -1.648 32379.7 / NC3H7+HO2=>NC3H7O+OH 7.000E+12 0.000 -1000.0 NC3H7+CH3OO=>NC3H7O+CH3O 7.000E+12 0.000 -1000.0 NC4H9=C2H4+C2H5 1.628E+20 -2.286 30470.7 REV / 8.500E+10 0.000 7800.0 / NC4H9+O2=NC4H9OO 1.000E+12 0.000 -830.0 REV / 4.635E+19 -1.668 32401.6 / NC4H9+HO2=>NC4H9O+OH 7.000E+12 0.000 -1000.0 NC4H9+CH3OO=>NC4H9O+CH3O 7.000E+12 0.000 -1000.0 IC8H17A=C7H14A+CH3 1.242E+21 -2.170 34245.2 REV / 1.700E+11 0.000 10600.0 / IC8H17A=IC4H8+IC4H9 1.308E+22 -2.538 32608.9 REV / 8.500E+10 0.000 10600.0 / IC8H17A=IC8H17C 1.270E+09 0.350 19040.0 REV / 1.214E+08 0.845 23426.1 / IC8H17A=IC8H17D 1.284E+12 -1.050 12740.0 REV / 3.850E+12 -1.050 12740.0 / IC8H17A+O2=C8H17OOA 1.000E+12 0.000 -830.0 REV / 5.336E+19 -1.687 32421.2 / IC8H17A+HO2=>C8H17OA+OH 7.000E+12 0.000 -1000.0 IC8H17A+CH3OO=>C8H17OA+CH3O 7.000E+12 0.000 -1000.0 IC8H17B=C7H14B+CH3 7.977E+18 -1.712 35456.3 REV / 1.700E+11 0.000 10600.0 / IC8H17B=C7H14C+CH3 8.045E+20 -2.011 34153.1 REV / 2.550E+11 0.000 10600.0 / IC8H17B+O2=C8H17OOB 1.000E+12 0.000 -1300.0 REV / 1.016E+22 -2.275 33871.8 / IC8H17B+HO2=>C8H17OB+OH 7.000E+12 0.000 -1000.0 IC8H17B+CH3OO=>C8H17OB+CH3O 7.000E+12 0.000 -1000.0 IC8H17C=IC4H8+TC4H9 1.304E+22 -2.538 29808.5 REV / 8.500E+10 0.000 7800.0 / IC8H17C+O2=C8H17OOC 1.000E+12 0.000 -1500.0 REV / 4.429E+22 -2.468 34205.2 / IC8H17C+HO2=>C8H17OC+OH 7.000E+12 0.000 -1000.0 IC8H17C+CH3OO=>C8H17OC+CH3O 7.000E+12 0.000 -1000.0 IC8H17D=C7H14D+CH3 2.816E+19 -1.874 34791.4 REV / 8.500E+10 0.000 10600.0 / IC8H17D=C3H6+C5H11B 1.107E+21 -2.230 33150.1 REV / 8.500E+10 0.000 10600.0 / IC8H17D+O2=C8H17OOD 1.000E+12 0.000 -830.0 REV / 5.336E+19 -1.687 32421.2 / IC8H17D+HO2=>C8H17OD+OH 7.000E+12 0.000 -1000.0 IC8H17D+CH3OO=>C8H17OD+CH3O 7.000E+12 0.000 -1000.0 C7H15A=IC4H8+IC3H7 3.163E+20 -2.124 31061.5 REV / 8.500E+10 0.000 7800.0 / C7H15A+O2=C7H15OOE 1.000E+12 0.000 -1500.0 REV / 1.718E+22 -2.339 34076.8 / C7H15A+HO2=>C7H15OE+OH 7.000E+12 0.000 -1000.0 C7H15A+CH3OO=>C7H15OE+CH3O 7.000E+12 0.000 -1000.0 TC4H9=IC4H8+H 8.646E+13 0.042 37562.8 REV / 3.000E+13 0.000 1200.0 / TC4H9+O2=TC4H9OO 1.000E+12 0.000 -1500.0 REV / 2.432E+22 -2.388 34112.9 / TC4H9+HO2=>TC4H9O+OH 7.000E+12 0.000 -1000.0 TC4H9+CH3OO=>TC4H9O+CH3O 7.000E+12 0.000 -1000.0 IC4H9=C3H6+CH3 6.747E+19 -1.921 34684.0 REV / 1.700E+11 0.000 10600.0 / IC4H9+O2=IC4H9OO 1.000E+12 0.000 -830.0 REV / 3.209E+19 -1.620 32342.4 / IC4H9+HO2=>IC4H9O+OH 7.000E+12 0.000 -1000.0 IC4H9+CH3OO=>IC4H9O+CH3O 7.000E+12 0.000 -1000.0 C5H11B=IC4H8+CH3 3.588E+21 -2.229 34142.8 REV / 2.550E+11 0.000 10600.0 / C5H11B+O2=C5H11OOB 1.000E+12 0.000 -830.0 REV / 5.872E+19 -1.700 32436.7 / C5H11B+HO2=>C5H11OB+OH 7.000E+12 0.000 -1000.0 C5H11B+CH3OO=>C5H11OB+CH3O 7.000E+12 0.000 -1000.0 IC3H7=C3H6+H 9.609E+13 -0.115 36890.0 REV / 2.000E+13 0.000 1200.0 / IC3H7+O2=IC3H7OO 1.000E+12 0.000 -1300.0 REV / 2.104E+21 -2.153 33753.7 / IC3H7+HO2=>IC3H7O+OH 7.000E+12 0.000 -1000.0 IC3H7+CH3OO=>IC3H7O+CH3O 7.000E+12 0.000 -1000.0 C7H15OOA=>C7H14E+HO2 6.000E+12 0.000 39800.0 ! C7H15OOA=C7H14OOHA 1.600E+12 0.000 34140.0 ! REV / 1.428E+11 0.006 23704.8 / ! C7H15OOA=C7H14OOHB 2.000E+11 0.000 23000.0 ! REV / 1.785E+10 0.006 12564.8 / ! C7H15OOA=C7H14OOHC 2.500E+10 0.000 22100.0 ! REV / 2.231E+09 0.006 11664.8 / C7H15OOA=C7H14OOHA 1.600E+12 0.000 33140.0 !V7F C7H15OOA=C7H14OOHB 2.000E+11 0.000 22000.0 !V7F C7H15OOA=C7H14OOHC 2.500E+10 0.000 21100.0 !V7F NC7H16+C7H15OOA=NC7H15A+C7H15OOHA 1.210E+13 0.000 20430.0 REV / 1.042E+13 -0.370 7512.9 / NC7H16+C7H15OOA=NC7H15B+C7H15OOHA 8.060E+12 0.000 17700.0 REV / 5.485E+11 -0.050 7326.4 / NC7H16+C7H15OOA=NC7H15C+C7H15OOHA 8.060E+12 0.000 17700.0 REV / 5.485E+11 -0.050 7326.4 / NC7H16+C7H15OOA=NC7H15D+C7H15OOHA 4.030E+12 0.000 17700.0 REV / 5.490E+11 -0.050 7326.4 / IC8H18+C7H15OOA=IC8H17A+C7H15OOHA 1.815E+13 0.000 20430.0 REV / 1.038E+13 -0.369 7512.6 / IC8H18+C7H15OOA=IC8H17B+C7H15OOHA 4.030E+12 0.000 17700.0 REV / 5.576E+11 -0.052 7330.3 / IC8H18+C7H15OOA=IC8H17C+C7H15OOHA 2.000E+12 0.000 16000.0 REV / 1.093E+11 0.125 7468.6 / IC8H18+C7H15OOA=IC8H17D+C7H15OOHA 1.210E+13 0.000 20430.0 REV / 2.075E+13 -0.369 7512.6 / HO2+C7H15OOA=O2+C7H15OOHA 1.750E+10 0.000 -3275.0 REV / 6.304E+13 -0.765 37095.7 / H2O2+C7H15OOA=HO2+C7H15OOHA 2.400E+12 0.000 10000.0 REV / 3.248E+13 -0.309 9939.0 / C7H15OOA+NC7H15A=>C7H15OA+C7H15OA 7.000E+12 0.000 -1000.0 C7H15OOA+NC7H15B=>C7H15OA+C7H15OB 7.000E+12 0.000 -1000.0 C7H15OOA+NC7H15C=>C7H15OA+C7H15OC 7.000E+12 0.000 -1000.0 C7H15OOA+NC7H15D=>C7H15OA+C7H15OD 7.000E+12 0.000 -1000.0 C7H15OOA+IC8H17A=>C7H15OA+C8H17OA 7.000E+12 0.000 -1000.0 C7H15OOA+IC8H17B=>C7H15OA+C8H17OB 7.000E+12 0.000 -1000.0 C7H15OOA+IC8H17C=>C7H15OA+C8H17OC 7.000E+12 0.000 -1000.0 C7H15OOA+IC8H17D=>C7H15OA+C8H17OD 7.000E+12 0.000 -1000.0 C7H15OOA+CH3=>C7H15OA+CH3O 7.000E+12 0.000 -1000.0 C7H15OOA+C7H15OOA=>C7H15OA+C7H15OA+O2 1.400E+16 -1.610 1860.0 C7H15OOA+C7H15OOB=>C7H15OA+C7H15OB+O2 1.400E+16 -1.610 1860.0 C7H15OOA+C7H15OOC=>C7H15OA+C7H15OC+O2 1.400E+16 -1.610 1860.0 C7H15OOA+C7H15OOD=>C7H15OA+C7H15OD+O2 1.400E+16 -1.610 1860.0 C7H15OOA+C8H17OOA=>C7H15OA+C8H17OA+O2 1.400E+16 -1.610 1860.0 C7H15OOA+C8H17OOB=>C7H15OA+C8H17OB+O2 1.400E+16 -1.610 1860.0 C7H15OOA+C8H17OOC=>C7H15OA+C8H17OC+O2 1.400E+16 -1.610 1860.0 C7H15OOA+C8H17OOD=>C7H15OA+C8H17OD+O2 1.400E+16 -1.610 1860.0 C7H15OOA+CH3OO=>C7H15OA+CH3O+O2 1.400E+16 -1.610 1860.0 C7H15OA=CH2O+C6H13A 1.000E+11 0.000 11900.0 REV / 5.700E+00 2.327 741.3 / !******************************************************************************** ! C3H6+H=AC3H5+H2 5.000E+12 0.000 1100.0 ! REV / 3.795E+11 0.150 16643.6 / ! C3H6+OH=AC3H5+H2O 1.110E+13 0.000 2319.0 ! REV / 1.274E+13 -0.009 33381.6 / ! C3H6+CH3=AC3H5+CH4 1.400E+11 0.000 8800.0 ! REV / 5.138E+12 -0.206 25792.6 / ! C3H6+O=>C2H5+HCO 7.300E+12 0.000 1710.0 C3H6+H=AC3H5+H2 1.730E+05 2.50 2.492E+03 !CPW2002 REV / 7.933E+04 2.51 1.952E+04 / C3H6+H=SC3H5+H2 8.040E+05 2.50 1.228E+04 !CPW2002 REV / 2.393E+03 2.99 5.876E+03 / C3H6+H=TC3H5+H2 4.050E+05 2.50 9.794E+03 !CPW2002 REV / 2.761E+02 3.19 5.500E+03 / C3H6+H=C2H4+CH3 4.830E+33 -5.81 1.850E+04 !CPW2002 REV / 2.313E+33 -5.90 3.162E+04 / C3H6+OH=AC3H5+H2O 3.120E+06 2.00 -2.980E+02 !CPW2002 REV / 6.194E+06 2.01 3.188E+04 / C3H6+OH=SC3H5+H2O 2.110E+06 2.00 2.778E+03 !CPW2002 REV / 2.719E+04 2.49 1.153E+04 / C3H6+OH=TC3H5+H2O 1.110E+06 2.00 1.451E+03 !CPW2002 REV / 3.276E+03 2.69 1.231E+04 / C3H6+CH3=AC3H5+CH4 2.210E+00 3.50 5.675E+03 !CPW2002 REV / 2.647E+01 3.51 2.318E+04 / C3H6+CH3=SC3H5+CH4 1.348E+00 3.50 1.285E+04 !CPW2002 REV / 1.048E-01 3.99 6.925E+03 / C3H6+CH3=TC3H5+CH4 8.400E-01 3.50 1.166E+04 !CPW2002 REV / 1.496E-02 4.19 7.842E+03 / C3H6+O=CH2CO+CH3+H 2.500E+07 1.76 7.600E+01 !CPW2002 REV / 0.000E+00 0.00 0.000E+00 / C3H6+O=C2H5+HCO 1.580E+07 1.76 -1.216E+03 !CPW2002 REV / 1.402E+05 1.88 2.651E+04 / C3H6+O=CH3CHCO+H+H 2.500E+07 1.76 7.600E+01 !CPW2002 REV / 0.000E+00 0.00 0.000E+00 / C3H6+O=AC3H5+OH 5.240E+11 0.70 5.884E+03 !CPW2002 REV / 1.055E+11 0.71 2.082E+04 / C3H6+O=SC3H5+OH 1.200E+11 0.70 8.959E+03 !CPW2002 REV / 1.569E+08 1.19 4.600E+02 / C3H6+O=TC3H5+OH 6.030E+10 0.70 7.632E+03 !CPW2002 REV / 1.805E+07 1.39 1.243E+03 / C3H6+HO2=AC3H5+H2O2 1.500E+11 0.00 1.419E+04 !CPW2002 REV / 5.867E+05 1.33 9.759E+03 / C3H6+HO2=SC3H5+H2O2 7.500E+09 0.00 1.257E+04 !CPW2002 REV / 2.308E+04 1.27 -1.342E+04 / C3H6+HO2=TC3H5+H2O2 3.000E+09 0.00 9.930E+03 !CPW2002 REV / 9.234E+03 1.27 -1.406E+04 / C3H6+HO2=C3H6OAB+OH 1.290E+12 0.00 1.490E+04 !CPW2002 REV / 0.000E-00 0.00 0.000E+00 / C3H6+O2=AC3H5+HO2 4.000E+12 0.00 3.990E+04 !CPW2002 REV / 3.332E+10 0.34 -5.560E+02 / C3H6+O2=SC3H5+HO2 2.000E+12 0.00 6.290E+04 !CPW2002 REV / 1.081E+08 0.82 -9.840E+02 / C3H6+O2=TC3H5+HO2 1.400E+12 0.00 6.070E+04 !CPW2002 REV / 1.734E+07 1.01 -1.074E+03 / C3H6=C2H3+CH3 2.730E+62 -13.28 1.232E+05 !CPW2002 REV / 4.712E+59 -13.19 2.954E+04 / C3H6=AC3H5+H 2.010E+61 -13.26 1.185E+05 !CPW2002 REV / 4.887E+56 -12.25 2.808E+04 / C3H6=SC3H5+H 7.710E+69 -16.09 1.400E+05 !CPW2002 REV / 1.217E+63 -14.60 2.616E+04 / C3H6=TC3H5+H 5.620E+71 -16.58 1.393E+05 !CPW2002 REV / 2.032E+64 -14.89 2.755E+04 / ! REACTIONS OF C3H5 AC3H5=C2H2+CH3 2.397E+48 -9.90 8.208E+04 REV / 2.610E+46 -9.82 3.695E+04 / SC3H5=C2H2+CH3 9.598E+39 -8.17 4.203E+04 REV / 1.610E+40 -8.58 2.033E+04 / TC3H5=C2H2+CH3 2.163E+10 -8.31 4.511E+04 REV / 1.610E+10 -8.58 2.033E+04 / SC3H5=PC3H4+H 4.187E+15 -0.79 3.748E+04 REV / 5.800E+12 0.00 3.100E+03 / TC3H5=PC3H4+H 1.075E+15 -0.60 3.849E+04 REV / 6.500E+12 0.00 2.000E+03 / AC3H5+HO2=C3H5O+OH 7.000E+12 0.00 -1.000E+03 REV / 2.041E+13 -0.16 1.226E+04 / AC3H5+HO2=C2H3+CH2O+OH 1.000E-18 0.00 0.000E+00 REV / 0.000E-00 0.00 0.000E+00 / AC3H5+H=AC3H4+H2 1.810E+13 0.00 0.000E+00 REV / 1.230E+13 0.12 4.723E+04 / AC3H5+CH3=AC3H4+CH4 1.000E+11 0.00 0.000E+00 REV / 4.921E+12 0.05 4.778E+04 / AC3H5+O2=AC3H4+HO2 2.180E+21 -2.85 3.076E+04 REV / 2.690E+19 -2.40 2.050E+04 / AC3H5+O2=CH2CHO+CH2O 7.140E+15 -1.21 2.105E+04 REV / 4.944E+16 -1.40 8.862E+04 / AC3H5+O2=C2H2+CH2O+OH 9.720E+29 -5.71 2.145E+04 REV / 0.000E+00 0.00 0.000E+00 / AC3H5+CH2O=C3H6+HCO 6.300E+08 1.90 1.819E+04 REV / 1.097E+08 1.89 1.584E+04 / IC4H8+SC3H5=IC4H7A+C3H6 7.940E+11 0.00 2.050E+04 REV / 5.592E+20 -1.27 8.217E+04 / SC3H5+O2=CH3CHO+HCO 4.335E+12 0.00 0.000E+00 REV / 1.611E+17 -1.27 9.653E+04 / SC3H5+H=AC3H4+H2 3.333E+12 0.00 0.000E+00 REV / 7.977E+12 0.11 6.886E+04 / SC3H5+CH3=AC3H4+CH4 1.000E+11 0.00 0.000E+00 REV / 6.253E+12 0.11 6.934E+04 / IC4H8+TC3H5=IC4H7A+C3H6 7.940E+11 0.00 2.050E+04 REV / 5.592E+20 -1.27 8.017E+04 / TC3H5+O2=AC3H4+HO2 1.890E+30 -5.59 1.554E+04 REV / 1.569E+31 -5.82 2.661E+04 / TC3H5+O2=CH3COCH2+O 3.810E+17 -1.36 5.580E+03 REV / 2.000E+11 0.00 1.750E+04 / TC3H5+H=PC3H4+H2 3.333E+12 0.00 0.000E+00 REV / 2.138E+16 -0.88 7.105E+04 / TC3H5+CH3=PC3H4+CH4 1.000E+11 0.00 0.000E+00 REV / 1.676E+16 -0.88 7.153E+04 / TC3H5+O2=CH2O+CH3CO 3.710E+25 -3.96 7.043E+03 REV / 1.872E+27 -4.43 1.012E+05 / ! REACTIONS OF C3H4 AC3H4+M=C3H3+H+M 2.000E+18 0.0 80000.0 AC3H4+OH=CH2CO+CH3 2.000E+12 0.0 -200.0 AC3H4+OH=CH2O+C2H3 2.000E+12 0.0 -200.0 AC3H4+O2=C3H3+HO2 4.000E+13 0.0 61500.0 AC3H4+H=AC3H5 4.000E+12 0.0 2700.0 AC3H4+H=TC3H5 8.500E+13 0.0 2000.0 ! AC3H4+HO2=C2H4+CO+OH 1.000E+12 0.00 1.400E+04 ! REV / 1.000E+00 0.00 0.000E+00 / ! AC3H4+HO2=C3H3+H2O2 3.000E+13 0.00 1.400E+04 ! REV / 1.551E+16 -1.38 4.400E+04 / AC3H4+C3H6=AC3H5+AC3H5 8.391E+17 -1.29 3.369E+04 REV / 1.000E+12 0.00 0.000E+00 / ! AC3H4+M=C3H3+H+M 1.143E+17 0.00 7.000E+04 ! REV / 1.798E+15 -0.38 1.061E+04 / AC3H4=PC3H4 1.202E+15 0.00 9.240E+04 REV / 3.222E+18 -0.99 9.659E+04 / ! AC3H4+O2=C3H3+HO2 4.000E+13 0.00 3.916E+04 ! REV / 1.175E+11 0.30 3.800E+01 / ! AC3H4+HO2=CH2CO+CH2+OH 4.000E+12 0.00 1.900E+04 ! REV / 0.000E+00 0.00 0.000E+00 / ! AC3H4+OH=C3H3+H2O 1.000E+07 2.00 1.000E+03 ! REV / 7.003E+06 1.97 3.452E+04 / AC3H4+O=C2H4+CO 7.800E+12 0.00 1.600E+03 REV / 8.280E+13 -0.21 1.248E+05 / ! AC3H4+H=C3H3+H2 2.000E+07 2.00 5.000E+03 ! REV / 3.235E+06 1.97 2.336E+04 / ! AC3H4+CH3=C3H3+CH4 3.670E-02 4.01 6.830E+03 ! REV / 1.551E-01 3.98 2.567E+04 / ! AC3H4+AC3H5=C3H3+C3H6 2.000E+11 0.00 7.700E+03 ! REV / 2.644E+19 -2.71 4.214E+04 / ! AC3H4+C2H=C3H3+C2H2 1.000E+13 0.00 0.000E+00 ! REV / 1.420E+16 -1.38 5.382E+04 / PC3H4+M=C3H3+H+M 1.143E+17 0.00 7.000E+04 REV / 6.708E+11 0.61 6.420E+03 / PC3H4=C2H+CH3 4.200E+16 0.00 1.000E+05 REV / 1.018E+12 0.61 -1.600E+03 / PC3H4+O2=C3H3+HO2 2.000E+13 0.00 4.160E+04 REV / 2.354E+11 0.14 7.800E+01 / PC3H4+HO2=C2H4+CO+OH 3.000E+12 0.00 1.900E+04 REV / 0.000E+00 0.00 0.000E+00 / PC3H4+OH=C3H3+H2O 1.000E+07 2.00 1.000E+03 REV / 2.805E+07 1.81 3.212E+04 / PC3H4+O=C3H3+OH 7.650E+08 1.50 8.600E+03 REV / 2.177E+08 1.31 2.247E+04 / PC3H4+O=C2H3+HCO 3.200E+12 0.00 2.010E+03 REV / 2.548E+12 -0.39 3.235E+04 / PC3H4+O=HCCO+CH3 9.600E+08 1.00 0.000E+00 REV / 1.643E+10 -0.20 2.409E+04 / PC3H4+H=C3H3+H2 2.000E+07 2.00 5.000E+03 REV / 1.296E+07 1.81 2.096E+04 / PC3H4+CH3=C3H3+CH4 1.500E+00 3.50 5.600E+03 REV / 2.539E+01 3.31 2.204E+04 / PC3H4+C2H=C3H3+C2H2 1.000E+12 0.00 0.000E+00 REV / 5.297E+11 -0.39 4.963E+04 / PC3H4+C2H3=C3H3+C2H4 1.000E+12 0.00 7.700E+03 REV / 9.541E+11 -0.39 5.245E+04 / PC3H4+AC3H5=C3H3+C3H6 1.000E+12 0.00 7.700E+03 REV / 4.931E+16 -1.73 3.795E+04 / ! !REACTIONS OF C3H5O !! C3H5O=C2H3CHO+H 1.000E+14 0.00 2.910E+04 !! REV / 7.714E+11 0.48 1.775E+04 / C3H5O=C2H3+CH2O 2.028E+12 0.09 2.356E+04 REV / 1.500E+11 0.00 1.060E+04 / !REACTIONS OF C3H6OAB C3H6OAB=C2H4+CH2O 6.000E+14 0.00 6.000E+04 REV / 2.970E+11 0.00 5.000E+04 / C3H6OAB+OH=CH2O+C2H3+H2O 5.000E+12 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / C3H6OAB+H=CH2O+C2H3+H2 2.630E+07 2.00 5.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C3H6OAB+O=CH2O+C2H3+OH 8.430E+13 0.00 5.200E+03 REV / 0.000E+00 0.00 0.000E+00 / C3H6OAB+HO2=CH2O+C2H3+H2O2 1.000E+13 0.00 1.500E+04 REV / 0.000E+00 0.00 0.000E+00 / C3H6OAB+CH3=CH2O+C2H3+CH4 2.000E+11 0.00 1.000E+04 REV / 0.000E+00 0.00 0.000E+00 / !REACTIONS OF C3H3 C3H3+H=C3H2+H2 5.000E+13 0.00 0.000E+00 REV / 3.853E+10 0.38 4.600E+03 / C3H3+O=CH2O+C2H 1.000E+13 0.00 0.000E+00 REV / 5.446E+14 0.00 3.161E+04 / C3H3+OH=C3H2+H2O 1.000E+13 0.00 0.000E+00 REV / 1.343E+15 0.00 1.568E+04 / C3H3+O2=CH2CO+HCO 3.010E+10 0.00 2.870E+03 REV / 4.881E+11 0.00 5.947E+04 / C3H3+CH3=C2H5+C2H 4.564E+17 -1.10 4.873E+04 REV / 1.810E+13 0.00 0.000E+00 / !REACTIONS OF C3H2 C3H2+O2=HCCO+CO+H 5.000E+13 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / C3H2+OH=C2H2+HCO 5.000E+13 0.00 0.000E+00 REV / 2.907E+20 -1.39 7.852E+04 / !***************************************************************************************** C7H15OOB=>C7H14F+HO2 6.000E+12 0.000 39390.0 C7H15OOB=>C7H14E+HO2 9.000E+12 0.000 40140.0 !***************************************************************************************** ! C7H15OOB=C7H14OOHD 1.600E+12 0.000 33610.0 ! REV / 1.593E+11 -0.006 23203.2 / ! C7H15OOB=C7H14OOHE 2.000E+11 0.000 22680.0 ! REV / 1.991E+10 -0.006 12273.2 / ! C7H15OOB=C7H14OOHF 2.500E+10 0.000 21810.0 ! REV / 2.488E+09 -0.006 11403.2 / ! C7H15OOB=C7H14OOHG 2.400E+12 0.000 37420.0 ! REV / 4.691E+12 -0.388 24517.1 / C7H15OOB=C7H14OOHD 1.600E+12 0.000 32610.0 C7H15OOB=C7H14OOHE 2.000E+11 0.000 21680.0 C7H15OOB=C7H14OOHF 2.500E+10 0.000 20810.0 C7H15OOB=C7H14OOHG 2.400E+12 0.000 36420.0 !***************************************************************************************** NC7H16+C7H15OOB=NC7H15A+C7H15OOHB 1.210E+13 0.000 20430.0 REV / 1.267E+13 -0.397 7536.5 / NC7H16+C7H15OOB=NC7H15B+C7H15OOHB 8.060E+12 0.000 17700.0 REV / 6.669E+11 -0.078 7349.9 / NC7H16+C7H15OOB=NC7H15C+C7H15OOHB 8.060E+12 0.000 17700.0 REV / 6.669E+11 -0.078 7349.9 / NC7H16+C7H15OOB=NC7H15D+C7H15OOHB 4.030E+12 0.000 17700.0 REV / 6.675E+11 -0.078 7349.9 / IC8H18+C7H15OOB=IC8H17A+C7H15OOHB 1.815E+13 0.000 20430.0 REV / 1.262E+13 -0.397 7536.1 / IC8H18+C7H15OOB=IC8H17B+C7H15OOHB 4.030E+12 0.000 17700.0 REV / 6.779E+11 -0.080 7353.9 / IC8H18+C7H15OOB=IC8H17C+C7H15OOHB 2.000E+12 0.000 16000.0 REV / 1.329E+11 0.098 7492.2 / IC8H18+C7H15OOB=IC8H17D+C7H15OOHB 1.210E+13 0.000 20430.0 REV / 2.523E+13 -0.397 7536.1 / HO2+C7H15OOB=O2+C7H15OOHB 1.750E+10 0.000 -3275.0 REV / 7.665E+13 -0.793 37119.2 / H2O2+C7H15OOB=HO2+C7H15OOHB 2.400E+12 0.000 10000.0 REV / 3.950E+13 -0.337 9962.5 / C7H15OOB+NC7H15A=>C7H15OB+C7H15OA 7.000E+12 0.000 -1000.0 C7H15OOB+NC7H15B=>C7H15OB+C7H15OB 7.000E+12 0.000 -1000.0 C7H15OOB+NC7H15C=>C7H15OB+C7H15OC 7.000E+12 0.000 -1000.0 C7H15OOB+NC7H15D=>C7H15OB+C7H15OD 7.000E+12 0.000 -1000.0 C7H15OOB+IC8H17A=>C7H15OB+C8H17OA 7.000E+12 0.000 -1000.0 C7H15OOB+IC8H17B=>C7H15OB+C8H17OB 7.000E+12 0.000 -1000.0 C7H15OOB+IC8H17C=>C7H15OB+C8H17OC 7.000E+12 0.000 -1000.0 C7H15OOB+IC8H17D=>C7H15OB+C8H17OD 7.000E+12 0.000 -1000.0 C7H15OOB+CH3=>C7H15OB+CH3O 7.000E+12 0.000 -1000.0 C7H15OOB+C7H15OOB=>C7H15OB+C7H15OB+O2 1.400E+16 -1.610 1860.0 C7H15OOB+C7H15OOC=>C7H15OB+C7H15OC+O2 1.400E+16 -1.610 1860.0 C7H15OOB+C7H15OOD=>C7H15OB+C7H15OD+O2 1.400E+16 -1.610 1860.0 C7H15OOB+C8H17OOA=>C7H15OB+C8H17OA+O2 1.400E+16 -1.610 1860.0 C7H15OOB+C8H17OOB=>C7H15OB+C8H17OB+O2 1.400E+16 -1.610 1860.0 C7H15OOB+C8H17OOC=>C7H15OB+C8H17OC+O2 1.400E+16 -1.610 1860.0 C7H15OOB+C8H17OOD=>C7H15OB+C8H17OD+O2 1.400E+16 -1.610 1860.0 C7H15OOB+CH3OO=>C7H15OB+CH3O+O2 1.400E+16 -1.610 1860.0 C7H15OB=C5H11CHOA+CH3 1.000E+11 0.000 11900.0 REV / 6.919E+00 2.259 1740.2 / C7H15OB=CH3CHO+C5H11A 1.000E+11 0.000 11900.0 REV / 1.834E-01 2.623 3245.3 / !****************************************************************************** ! C6H12A+H=C6H11A+H2 2.500E+12 0.000 900.0 ! REV / 9.785E+10 0.435 19025.5 / ! C6H12A+OH=C6H11A+H2O 5.500E+12 0.000 2100.0 ! REV / 3.255E+12 0.276 35744.5 / ! C6H12A+CH3=C6H11A+CH4 7.000E+10 0.000 8500.0 ! REV / 1.325E+12 0.078 28074.5 / ! C6H12A+O=>C5H11A+HCO 7.300E+12 0.000 1710.0 C6H12A=NC3H7+AC3H5 1.000E+16 0.00 7.100E+04 REV / 1.000E+13 0.00 0.000E+00 / C6H12A+H=C6H11A+H2 3.700E+13 0.00 3.900E+03 REV / 2.781E+14 -0.13 2.677E+04 / C6H12A+CH3=C6H11A+CH4 1.000E+12 0.00 7.300E+03 REV / 1.964E+14 -0.13 3.065E+04 / C6H12A+O=C6H11A+OH 2.120E+11 0.13 9.125E+03 REV / 7.000E+11 0.00 2.990E+04 / C6H12A+OH=C5H11A+CH2O 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C6H12A+OH=C6H11A+H2O 3.000E+13 0.00 1.230E+03 REV / 9.764E+14 -0.13 3.926E+04 / C6H11A=C3H6+AC3H5 2.500E+13 0.00 4.500E+04 REV / 1.000E+10 0.00 1.700E+04 / !***************************************************************************** ! N1C4H8+H=NC4H7A+H2 2.500E+12 0.000 900.0 ! REV / 9.120E+10 0.445 19017.8 / ! N1C4H8+OH=NC4H7A+H2O 5.500E+12 0.000 2100.0 ! REV / 3.034E+12 0.286 35736.7 / ! N1C4H8+CH3=NC4H7A+CH4 7.000E+10 0.000 8500.0 ! REV / 1.235E+12 0.089 28066.7 / ! N1C4H8+O=>NC3H7+HCO 7.300E+12 0.000 1710.0 !**** N1C4H8 REACTIONS ARE IMPORTED FROM CPW2002 N1C4H8=AC3H5+CH3 5.000E+15 0.00 7.100E+04 REV / 5.000E+12 0.00 0.000E+00 / N1C4H8=C2H3+C2H5 1.000E+19 -1.00 9.677E+04 REV / 9.000E+12 0.00 0.000E+00 / N1C4H8=H+NC4H7A 4.107E+18 -1.00 9.735E+04 REV / 5.000E+13 0.00 0.000E+00 / N1C4H8+CH3=NC4H7A+CH4 1.000E+11 0.00 7.300E+03 REV / 6.000E+11 0.00 1.786E+04 / N1C4H8+H=NC4H7A+H2 5.000E+13 0.00 3.900E+03 REV / 4.000E+13 0.00 2.520E+04 / N1C4H8+OH=NC4H7A+H2O 2.250E+13 0.00 2.217E+03 REV / 4.772E+12 0.00 2.647E+04 / N1C4H8+OH=NC3H7+CH2O 1.000E+12 0.00 0.000E+00 REV / 1.620E+12 0.00 1.323E+04 / N1C4H8+OH=CH3CHO+C2H5 1.000E+12 0.00 0.000E+00 REV / 9.330E+12 0.00 1.993E+04 / N1C4H8+OH=CH3CO+C2H6 5.000E+11 0.00 0.000E+00 REV / 9.830E+12 0.00 3.243E+04 / N1C4H8+OH=C2H5CHO+CH3 1.000E+12 0.00 0.000E+00 REV / 4.950E+10 0.00 1.694E+04 / N1C4H8+OH=C2H5CO+CH4 5.000E+11 0.00 0.000E+00 REV / 2.200E+13 0.00 3.427E+04 / N1C4H8+O=C3H6+CH2O 7.230E+05 2.34 -1.050E+03 REV / 2.000E+05 2.34 8.028E+04 / N1C4H8+O=CH3CHO+C2H4 1.300E+13 0.00 8.500E+02 REV / 2.070E+12 0.00 8.510E+04 / N1C4H8+O=CH3CO+C2H5 1.300E+13 0.00 8.500E+02 REV / 2.350E+12 0.00 3.815E+04 / N1C4H8+O=C2H5CHO+CH2 1.300E+13 0.00 8.500E+02 REV / 5.710E+09 0.00 1.100E+04 / N1C4H8+O=C2H5CO+CH3 1.300E+13 0.00 8.500E+02 REV / 4.800E+11 0.00 3.255E+04 / N1C4H8+AC3H5=NC4H7A+C3H6 7.900E+10 0.00 1.240E+04 REV / 1.000E+11 0.00 1.750E+04 / N1C4H8+HO2=NC4H7A+H2O2 1.400E+12 0.00 1.490E+04 REV / 3.160E+11 0.00 1.300E+04 / N1C4H8+O2=NC4H7A+HO2 2.700E+13 0.00 3.320E+04 REV / 3.000E+11 0.00 0.000E+00 / NC4H7A=C2H4+C2H3 1.000E+11 0.00 3.700E+04 REV / 5.000E+10 0.00 7.000E+03 / NC4H7A=C4H6+H 1.200E+14 0.00 4.930E+04 REV / 4.000E+13 0.00 1.300E+03 / C4H6=C2H3+C2H3 4.027E+19 -1.00 9.815E+04 REV / 1.260E+13 0.00 0.000E+00 / C4H6+OH = C2H5+CH2CO 1.000E+12 0.00 0.000E+00 REV / 3.730E+12 0.00 3.002E+04 / C4H6+OH = CH2O+AC3H5 1.000E+12 0.00 0.000E+00 REV / 3.501E+06 0.00 7.106E+04 / C4H6+OH = C2H3+CH3CHO 1.000E+12 0.00 0.000E+00 REV / 5.437E+11 0.00 1.855E+04 / C4H6+O = C2H4+CH2CO 1.000E+12 0.00 0.000E+00 REV / 6.377E+11 0.00 9.434E+04 / C4H6+O = CH2O+AC3H4 1.000E+12 0.00 0.000E+00 REV / 1.075E+12 0.00 7.905E+04 / NC4H7A+C3H6 = N2C4H8+AC3H5 1.000E+11 0.00 1.590E+04 REV / 1.000E+11 0.00 1.500E+04 / N1C4H8+C4H6 = NC4H7A+NC4H7A 2.350E+12 0.00 4.672E+04 REV / 1.600E+12 0.00 0.000E+00 / N2C4H8+C4H6 = NC4H7A+NC4H7A 2.350E+12 0.00 4.672E+04 REV / 1.600E+12 0.00 0.000E+00 / NC4H7A+CH3 = C4H6+CH4 8.000E+12 0.00 0.000E+00 REV / 7.050E+13 0.00 5.728E+04 / AC3H5+NC4H7A = C3H6+C4H6 6.310E+12 0.00 0.000E+00 REV / 1.000E+10 0.00 5.000E+04 / NC4H7A+O2 = C4H6+HO2 1.000E+09 0.00 0.000E+00 REV / 1.000E+11 0.00 1.700E+04 / H+NC4H7A = C4H6+H2 3.160E+13 0.00 0.000E+00 REV / 1.066E+13 0.00 5.681E+04 / C2H5+NC4H7A = C4H6+C2H6 3.980E+12 0.00 0.000E+00 REV / 3.211E+12 0.00 4.984E+04 / C2H5+NC4H7A = C2H4+N1C4H8 9.240E+06 1.50 -9.620E+02 REV / 7.807E+02 2.91 5.096E+04 / C2H5+NC4H7A = C2H4+N2C4H8 5.000E+11 0.00 0.000E+00 REV / 8.478E+11 0.00 5.633E+04 / C2H3+NC4H7A = C2H4+C4H6 3.980E+12 0.00 0.000E+00 REV / 1.157E+13 0.00 5.771E+04 / !***************************************************************************** C7H15OOC=>C7H14G+HO2 6.000E+12 0.000 47070.0 C7H15OOC=>C7H14F+HO2 6.000E+12 0.000 47070.0 !***************************************************************************** ! C7H15OOC=C7H14OOHH 1.600E+12 0.000 33610.0 ! REV / 1.593E+11 -0.006 23203.2 / ! C7H15OOC=C7H14OOHI 2.000E+11 0.000 22680.0 ! REV / 1.991E+10 -0.006 12273.2 / ! C7H15OOC=C7H14OOHJ 2.500E+10 0.000 21810.0 ! REV / 2.488E+09 -0.006 11403.2 / ! C7H15OOC=C7H14OOHK 1.600E+12 0.000 33610.0 ! REV / 1.593E+11 -0.006 23203.2 / ! C7H15OOC=C7H14OOHL 3.000E+11 0.000 24950.0 ! REV / 5.864E+11 -0.388 12047.1 / C7H15OOC=C7H14OOHH 1.600E+12 0.000 32610.0 C7H15OOC=C7H14OOHI 2.000E+11 0.000 21680.0 C7H15OOC=C7H14OOHJ 2.500E+10 0.000 20810.0 C7H15OOC=C7H14OOHK 1.600E+12 0.000 32610.0 C7H15OOC=C7H14OOHL 3.000E+11 0.000 23950.0 !***************************************************************************** NC7H16+C7H15OOC=NC7H15A+C7H15OOHC 1.210E+13 0.000 20430.0 REV / 1.267E+13 -0.397 7536.5 / NC7H16+C7H15OOC=NC7H15B+C7H15OOHC 8.060E+12 0.000 17700.0 REV / 6.669E+11 -0.078 7349.9 / NC7H16+C7H15OOC=NC7H15C+C7H15OOHC 8.060E+12 0.000 17700.0 REV / 6.669E+11 -0.078 7349.9 / NC7H16+C7H15OOC=NC7H15D+C7H15OOHC 4.030E+12 0.000 17700.0 REV / 6.675E+11 -0.078 7349.9 / IC8H18+C7H15OOC=IC8H17A+C7H15OOHC 1.815E+13 0.000 20430.0 REV / 1.262E+13 -0.397 7536.1 / IC8H18+C7H15OOC=IC8H17B+C7H15OOHC 4.030E+12 0.000 17700.0 REV / 6.779E+11 -0.080 7353.9 / IC8H18+C7H15OOC=IC8H17C+C7H15OOHC 2.000E+12 0.000 16000.0 REV / 1.329E+11 0.098 7492.2 / IC8H18+C7H15OOC=IC8H17D+C7H15OOHC 1.210E+13 0.000 20430.0 REV / 2.523E+13 -0.397 7536.1 / HO2+C7H15OOC=O2+C7H15OOHC 1.750E+10 0.000 -3275.0 REV / 7.665E+13 -0.793 37119.2 / H2O2+C7H15OOC=HO2+C7H15OOHC 2.400E+12 0.000 10000.0 REV / 3.950E+13 -0.337 9962.5 / C7H15OOC+NC7H15A=>C7H15OC+C7H15OA 7.000E+12 0.000 -1000.0 C7H15OOC+NC7H15B=>C7H15OC+C7H15OB 7.000E+12 0.000 -1000.0 C7H15OOC+NC7H15C=>C7H15OC+C7H15OC 7.000E+12 0.000 -1000.0 C7H15OOC+NC7H15D=>C7H15OC+C7H15OD 7.000E+12 0.000 -1000.0 C7H15OOC+IC8H17A=>C7H15OC+C8H17OA 7.000E+12 0.000 -1000.0 C7H15OOC+IC8H17B=>C7H15OC+C8H17OB 7.000E+12 0.000 -1000.0 C7H15OOC+IC8H17C=>C7H15OC+C8H17OC 7.000E+12 0.000 -1000.0 C7H15OOC+IC8H17D=>C7H15OC+C8H17OD 7.000E+12 0.000 -1000.0 C7H15OOC+CH3=>C7H15OC+CH3O 7.000E+12 0.000 -1000.0 C7H15OOC+C7H15OOC=>C7H15OC+C7H15OC+O2 1.400E+16 -1.610 1860.0 C7H15OOC+C7H15OOD=>C7H15OC+C7H15OD+O2 1.400E+16 -1.610 1860.0 C7H15OOC+C8H17OOA=>C7H15OC+C8H17OA+O2 1.400E+16 -1.610 1860.0 C7H15OOC+C8H17OOB=>C7H15OC+C8H17OB+O2 1.400E+16 -1.610 1860.0 C7H15OOC+C8H17OOC=>C7H15OC+C8H17OC+O2 1.400E+16 -1.610 1860.0 C7H15OOC+C8H17OOD=>C7H15OC+C8H17OD+O2 1.400E+16 -1.610 1860.0 C7H15OOC+CH3OO=>C7H15OC+CH3O+O2 1.400E+16 -1.610 1860.0 C7H15OC=C4H9CHOA+C2H5 1.000E+11 0.000 11900.0 REV / 2.972E-02 2.848 3731.4 / C7H15OC=C2H5CHO+NC4H9 1.000E+11 0.000 11900.0 REV / 1.450E-01 2.616 3211.0 / !****************************************************************************** ! ! C5H10A+H=C5H9A+H2 2.500E+12 0.000 900.0 ! REV / 9.516E+10 0.439 19019.7 / ! C5H10A+OH=C5H9A+H2O 5.500E+12 0.000 2100.0 ! REV / 3.166E+12 0.280 35738.6 / ! C5H10A+CH3=C5H9A+CH4 7.000E+10 0.000 8500.0 ! REV / 1.288E+12 0.082 28068.6 / ! C5H10A+O=>NC4H9+HCO 7.300E+12 0.000 1710.0 ! C5H10A REACTIONS ARE ADDED FROM CPW2002 C5H10A=C2H5+AC3H5 9.173E+20 -1.63 7.399E+04 REV / 4.000E+12 0.00 -5.960E+02 / C5H10A+H=C5H9A+H2 2.800E+13 0.00 4.000E+03 REV / 1.000E+12 0.00 1.400E+04 / C5H10A+O=C5H9A+OH 2.540E+05 2.56 -1.130E+03 REV / 7.000E+11 0.00 2.990E+04 / C5H10A+O=NC3H7+CH3CO 1.000E+11 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / C5H10A+OH=C5H9A+H2O 5.120E+06 2.00 -2.980E+02 REV / 2.060E+07 2.16 3.497E+04 / C5H10A+OH=NC3H7+CH3CHO 1.000E+11 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / C5H10A+CH3=C5H9A+CH4 1.000E+11 0.00 7.300E+03 REV / 6.000E+11 0.00 1.790E+04 / C5H9A=AC3H5+C2H4 2.500E+13 0.00 4.500E+04 REV / 0.000E+00 0.00 0.000E+00 / C5H9A=C4H6+CH3 1.339E+15 -0.52 3.832E+04 REV / 1.750E+11 0.00 7.600E+03 / !****************************************************************************** C7H15OOD=>C7H14G+HO2 1.200E+13 0.000 63390.0 !****************************************************************************** ! C7H15OOD=C7H14OOHM 7.500E+10 0.000 23880.0 ! REV / 1.466E+11 -0.388 10977.1 / ! C7H15OOD=C7H14OOHN 4.000E+11 0.000 22680.0 ! REV / 3.981E+10 -0.006 12273.2 / ! C7H15OOD=C7H14OOHO 3.200E+12 0.000 33610.0 ! REV / 3.185E+11 -0.006 23203.2 / C7H15OOD=C7H14OOHM 7.500E+10 0.000 22880.0 C7H15OOD=C7H14OOHN 4.000E+11 0.000 21680.0 C7H15OOD=C7H14OOHO 3.200E+12 0.000 32610.0 !****************************************************************************** NC7H16+C7H15OOD=NC7H15A+C7H15OOHD 1.210E+13 0.000 20430.0 REV / 1.267E+13 -0.397 7536.5 / NC7H16+C7H15OOD=NC7H15B+C7H15OOHD 8.060E+12 0.000 17700.0 REV / 6.669E+11 -0.078 7349.9 / NC7H16+C7H15OOD=NC7H15C+C7H15OOHD 8.060E+12 0.000 17700.0 REV / 6.669E+11 -0.078 7349.9 / NC7H16+C7H15OOD=NC7H15D+C7H15OOHD 4.030E+12 0.000 17700.0 REV / 6.675E+11 -0.078 7349.9 / IC8H18+C7H15OOD=IC8H17A+C7H15OOHD 1.815E+13 0.000 20430.0 REV / 1.262E+13 -0.397 7536.1 / IC8H18+C7H15OOD=IC8H17B+C7H15OOHD 4.030E+12 0.000 17700.0 REV / 6.779E+11 -0.080 7353.9 / IC8H18+C7H15OOD=IC8H17C+C7H15OOHD 2.000E+12 0.000 16000.0 REV / 1.329E+11 0.098 7492.2 / IC8H18+C7H15OOD=IC8H17D+C7H15OOHD 1.210E+13 0.000 20430.0 REV / 2.523E+13 -0.397 7536.1 / HO2+C7H15OOD=O2+C7H15OOHD 1.750E+10 0.000 -3275.0 REV / 7.665E+13 -0.793 37119.2 / H2O2+C7H15OOD=HO2+C7H15OOHD 2.400E+12 0.000 10000.0 REV / 3.950E+13 -0.337 9962.5 / C7H15OOD+NC7H15A=>C7H15OD+C7H15OA 7.000E+12 0.000 -1000.0 C7H15OOD+NC7H15B=>C7H15OD+C7H15OB 7.000E+12 0.000 -1000.0 C7H15OOD+NC7H15C=>C7H15OD+C7H15OC 7.000E+12 0.000 -1000.0 C7H15OOD+NC7H15D=>C7H15OD+C7H15OD 7.000E+12 0.000 -1000.0 C7H15OOD+IC8H17A=>C7H15OD+C8H17OA 7.000E+12 0.000 -1000.0 C7H15OOD+IC8H17B=>C7H15OD+C8H17OB 7.000E+12 0.000 -1000.0 C7H15OOD+IC8H17C=>C7H15OD+C8H17OC 7.000E+12 0.000 -1000.0 C7H15OOD+IC8H17D=>C7H15OD+C8H17OD 7.000E+12 0.000 -1000.0 C7H15OOD+CH3=>C7H15OD+CH3O 7.000E+12 0.000 -1000.0 C7H15OOD+C7H15OOD=>C7H15OD+C7H15OD+O2 1.400E+16 -1.610 1860.0 C7H15OOD+C8H17OOA=>C7H15OD+C8H17OA+O2 1.400E+16 -1.610 1860.0 C7H15OOD+C8H17OOB=>C7H15OD+C8H17OB+O2 1.400E+16 -1.610 1860.0 C7H15OOD+C8H17OOC=>C7H15OD+C8H17OC+O2 1.400E+16 -1.610 1860.0 C7H15OOD+C8H17OOD=>C7H15OD+C8H17OD+O2 1.400E+16 -1.610 1860.0 C7H15OOD+CH3OO=>C7H15OD+CH3O+O2 1.400E+16 -1.610 1860.0 C7H15OD=NC3H7CHO+NC3H7 2.000E+11 0.000 11900.0 REV / 2.670E-01 2.628 3199.5 / C6H13B=C5H10A+CH3 2.600E+17 -1.447 32178.0 REV / 8.500E+10 0.000 7800.0 / C6H13B=N1C4H8+C2H5 4.940E+19 -2.009 30155.4 REV / 8.500E+10 0.000 7800.0 / C6H13B+O2=C6H13OOB 1.000E+12 0.000 -1300.0 REV / 1.055E+22 -2.281 33874.6 / C6H13B+HO2=>C6H13OB+OH 7.000E+12 0.000 -1000.0 C6H13B+CH3OO=>C6H13OB+CH3O 7.000E+12 0.000 -1000.0 C6H13C=C3H6+NC3H7 1.046E+19 -1.806 30543.0 REV / 8.500E+10 0.000 7800.0 / C6H13C+O2=C6H13OOC 1.000E+12 0.000 -1300.0 REV / 1.055E+22 -2.281 33874.6 / C6H13C+HO2=>C6H13OC+OH 7.000E+12 0.000 -1000.0 C6H13C+CH3OO=>C6H13OC+CH3O 7.000E+12 0.000 -1000.0 C6H13OOA=>C6H12A+HO2 6.000E+12 0.000 39800.0 C6H13OOA=C6H12OOHA 1.600E+12 0.000 34140.0 REV / 1.363E+11 0.013 23699.9 / C6H13OOA=C6H12OOHB 2.000E+11 0.000 23000.0 REV / 1.704E+10 0.013 12559.9 / C6H13OOA=C6H12OOHC 2.500E+10 0.000 22100.0 REV / 2.130E+09 0.013 11659.9 / NC7H16+C6H13OOA=NC7H15A+C6H13OOHA 1.210E+13 0.000 20430.0 REV / 1.005E+13 -0.364 7512.2 / NC7H16+C6H13OOA=NC7H15B+C6H13OOHA 8.060E+12 0.000 17700.0 REV / 5.288E+11 -0.045 7325.7 / NC7H16+C6H13OOA=NC7H15C+C6H13OOHA 8.060E+12 0.000 17700.0 REV / 5.288E+11 -0.045 7325.7 / NC7H16+C6H13OOA=NC7H15D+C6H13OOHA 4.030E+12 0.000 17700.0 REV / 5.293E+11 -0.045 7325.7 / IC8H18+C6H13OOA=IC8H17A+C6H13OOHA 1.815E+13 0.000 20430.0 REV / 1.001E+13 -0.364 7511.9 / IC8H18+C6H13OOA=IC8H17B+C6H13OOHA 4.030E+12 0.000 17700.0 REV / 5.375E+11 -0.047 7329.6 / IC8H18+C6H13OOA=IC8H17C+C6H13OOHA 2.000E+12 0.000 16000.0 REV / 1.054E+11 0.131 7467.9 / IC8H18+C6H13OOA=IC8H17D+C6H13OOHA 1.210E+13 0.000 20430.0 REV / 2.001E+13 -0.364 7511.9 / HO2+C6H13OOA=O2+C6H13OOHA 1.750E+10 0.000 -3275.0 REV / 6.078E+13 -0.760 37094.9 / H2O2+C6H13OOA=HO2+C6H13OOHA 2.400E+12 0.000 10000.0 REV / 3.132E+13 -0.304 9938.2 / C6H13OOA+NC7H15A=>C6H13OA+C7H15OA 7.000E+12 0.000 -1000.0 C6H13OOA+NC7H15B=>C6H13OA+C7H15OB 7.000E+12 0.000 -1000.0 C6H13OOA+NC7H15C=>C6H13OA+C7H15OC 7.000E+12 0.000 -1000.0 C6H13OOA+NC7H15D=>C6H13OA+C7H15OD 7.000E+12 0.000 -1000.0 C6H13OOA+IC8H17A=>C6H13OA+C8H17OA 7.000E+12 0.000 -1000.0 C6H13OOA+IC8H17B=>C6H13OA+C8H17OB 7.000E+12 0.000 -1000.0 C6H13OOA+IC8H17C=>C6H13OA+C8H17OC 7.000E+12 0.000 -1000.0 C6H13OOA+IC8H17D=>C6H13OA+C8H17OD 7.000E+12 0.000 -1000.0 C6H13OOA+CH3=>C6H13OA+CH3O 7.000E+12 0.000 -1000.0 C6H13OOA+C8H17OOA=>C6H13OA+C8H17OA+O2 1.400E+16 -1.610 1860.0 C6H13OOA+C8H17OOB=>C6H13OA+C8H17OB+O2 1.400E+16 -1.610 1860.0 C6H13OOA+C8H17OOC=>C6H13OA+C8H17OC+O2 1.400E+16 -1.610 1860.0 C6H13OOA+C8H17OOD=>C6H13OA+C8H17OD+O2 1.400E+16 -1.610 1860.0 C6H13OOA+CH3OO=>C6H13OA+CH3O+O2 1.400E+16 -1.610 1860.0 C6H13OA=CH2O+C5H11A 1.000E+11 0.000 11900.0 REV / 6.561E+00 2.308 761.9 / C5H11C=C3H6+C2H5 6.495E+19 -2.070 30061.3 REV / 8.500E+10 0.000 7800.0 / C5H11C+O2=C5H11OOC 1.000E+12 0.000 -1300.0 REV / 8.361E+21 -2.249 33839.5 / C5H11C+HO2=>C5H11OC+OH 7.000E+12 0.000 -1000.0 C5H11C+CH3OO=>C5H11OC+CH3O 7.000E+12 0.000 -1000.0 C5H11OOA=>C5H10A+HO2 6.000E+12 0.000 39800.0 C5H11OOA=C5H10OOHA 1.600E+12 0.000 34140.0 REV / 1.321E+11 0.018 23694.8 / C5H11OOA=C5H10OOHB 2.000E+11 0.000 23000.0 REV / 1.651E+10 0.018 12554.8 / C5H11OOA=C5H10OOHC 2.500E+10 0.000 22100.0 REV / 2.063E+09 0.018 11654.8 / NC7H16+C5H11OOA=NC7H15A+C5H11OOHA 1.210E+13 0.000 20430.0 REV / 1.002E+13 -0.363 7511.6 / NC7H16+C5H11OOA=NC7H15B+C5H11OOHA 8.060E+12 0.000 17700.0 REV / 5.272E+11 -0.044 7325.1 / NC7H16+C5H11OOA=NC7H15C+C5H11OOHA 8.060E+12 0.000 17700.0 REV / 5.272E+11 -0.044 7325.1 / NC7H16+C5H11OOA=NC7H15D+C5H11OOHA 4.030E+12 0.000 17700.0 REV / 5.277E+11 -0.044 7325.1 / IC8H18+C5H11OOA=IC8H17A+C5H11OOHA 1.815E+13 0.000 20430.0 REV / 9.977E+12 -0.363 7511.3 / IC8H18+C5H11OOA=IC8H17B+C5H11OOHA 4.030E+12 0.000 17700.0 REV / 5.359E+11 -0.046 7329.0 / IC8H18+C5H11OOA=IC8H17C+C5H11OOHA 2.000E+12 0.000 16000.0 REV / 1.051E+11 0.132 7467.3 / IC8H18+C5H11OOA=IC8H17D+C5H11OOHA 1.210E+13 0.000 20430.0 REV / 1.995E+13 -0.363 7511.3 / HO2+C5H11OOA=O2+C5H11OOHA 1.750E+10 0.000 -3275.0 REV / 6.060E+13 -0.759 37094.3 / H2O2+C5H11OOA=HO2+C5H11OOHA 2.400E+12 0.000 10000.0 REV / 3.123E+13 -0.303 9937.6 / C5H11OOA+NC7H15A=>C5H11OA+C7H15OA 7.000E+12 0.000 -1000.0 C5H11OOA+NC7H15B=>C5H11OA+C7H15OB 7.000E+12 0.000 -1000.0 C5H11OOA+NC7H15C=>C5H11OA+C7H15OC 7.000E+12 0.000 -1000.0 C5H11OOA+NC7H15D=>C5H11OA+C7H15OD 7.000E+12 0.000 -1000.0 C5H11OOA+IC8H17A=>C5H11OA+C8H17OA 7.000E+12 0.000 -1000.0 C5H11OOA+IC8H17B=>C5H11OA+C8H17OB 7.000E+12 0.000 -1000.0 C5H11OOA+IC8H17C=>C5H11OA+C8H17OC 7.000E+12 0.000 -1000.0 C5H11OOA+IC8H17D=>C5H11OA+C8H17OD 7.000E+12 0.000 -1000.0 C5H11OOA+CH3=>C5H11OA+CH3O 7.000E+12 0.000 -1000.0 C5H11OOA+C8H17OOA=>C5H11OA+C8H17OA+O2 1.400E+16 -1.610 1860.0 C5H11OOA+C8H17OOB=>C5H11OA+C8H17OB+O2 1.400E+16 -1.610 1860.0 C5H11OOA+C8H17OOC=>C5H11OA+C8H17OC+O2 1.400E+16 -1.610 1860.0 C5H11OOA+C8H17OOD=>C5H11OA+C8H17OD+O2 1.400E+16 -1.610 1860.0 C5H11OOA+CH3OO=>C5H11OA+CH3O+O2 1.400E+16 -1.610 1860.0 C5H11OA=CH2O+NC4H9 1.000E+11 0.000 11900.0 REV / 7.627E+00 2.287 783.0 / NC3H7OO=>C3H6+HO2 6.000E+12 0.000 33080.0 NC3H7OO=C3H6OOHAB 1.600E+12 0.000 34140.0 REV / 1.819E+11 -0.028 23735.1 / NC3H7OO=C3H6OOHAC 3.000E+11 0.000 25300.0 REV / 5.290E+11 -0.374 12383.6 / NC7H16+NC3H7OO=NC7H15A+NC3H7OOH 1.210E+13 0.000 20430.0 REV / 1.093E+13 -0.377 7517.6 / NC7H16+NC3H7OO=NC7H15B+NC3H7OOH 8.060E+12 0.000 17700.0 REV / 5.753E+11 -0.058 7331.0 / NC7H16+NC3H7OO=NC7H15C+NC3H7OOH 8.060E+12 0.000 17700.0 REV / 5.753E+11 -0.058 7331.0 / NC7H16+NC3H7OO=NC7H15D+NC3H7OOH 4.030E+12 0.000 17700.0 REV / 5.758E+11 -0.058 7331.0 / IC8H18+NC3H7OO=IC8H17A+NC3H7OOH 1.815E+13 0.000 20430.0 REV / 1.089E+13 -0.377 7517.2 / IC8H18+NC3H7OO=IC8H17B+NC3H7OOH 4.030E+12 0.000 17700.0 REV / 5.848E+11 -0.060 7335.0 / IC8H18+NC3H7OO=IC8H17C+NC3H7OOH 2.000E+12 0.000 16000.0 REV / 1.146E+11 0.118 7473.3 / IC8H18+NC3H7OO=IC8H17D+NC3H7OOH 1.210E+13 0.000 20430.0 REV / 2.176E+13 -0.377 7517.2 / HO2+NC3H7OO=O2+NC3H7OOH 1.750E+10 0.000 -3275.0 REV / 6.612E+13 -0.773 37100.3 / H2O2+NC3H7OO=HO2+NC3H7OOH 2.400E+12 0.000 10000.0 REV / 3.407E+13 -0.317 9943.6 / NC3H7OO+NC7H15A=>NC3H7O+C7H15OA 7.000E+12 0.000 -1000.0 NC3H7OO+NC7H15B=>NC3H7O+C7H15OB 7.000E+12 0.000 -1000.0 NC3H7OO+NC7H15C=>NC3H7O+C7H15OC 7.000E+12 0.000 -1000.0 NC3H7OO+NC7H15D=>NC3H7O+C7H15OD 7.000E+12 0.000 -1000.0 NC3H7OO+IC8H17A=>NC3H7O+C8H17OA 7.000E+12 0.000 -1000.0 NC3H7OO+IC8H17B=>NC3H7O+C8H17OB 7.000E+12 0.000 -1000.0 NC3H7OO+IC8H17C=>NC3H7O+C8H17OC 7.000E+12 0.000 -1000.0 NC3H7OO+IC8H17D=>NC3H7O+C8H17OD 7.000E+12 0.000 -1000.0 NC3H7OO+CH3=>NC3H7O+CH3O 7.000E+12 0.000 -1000.0 NC3H7OO+C8H17OOA=>NC3H7O+C8H17OA+O2 1.400E+16 -1.610 1860.0 NC3H7OO+C8H17OOB=>NC3H7O+C8H17OB+O2 1.400E+16 -1.610 1860.0 NC3H7OO+C8H17OOC=>NC3H7O+C8H17OC+O2 1.400E+16 -1.610 1860.0 NC3H7OO+C8H17OOD=>NC3H7O+C8H17OD+O2 1.400E+16 -1.610 1860.0 NC3H7OO+CH3OO=>NC3H7O+CH3O+O2 1.400E+16 -1.610 1860.0 NC3H7O=CH2O+C2H5 1.000E+11 0.000 11900.0 REV / 1.516E+00 2.523 1298.1 / NC4H9OO=>N1C4H8+HO2 6.000E+12 0.000 39800.0 NC4H9OO=C4H8OOHAB 1.600E+12 0.000 34140.0 REV / 1.688E+11 -0.017 23723.0 / NC4H9OO=C4H8OOHAC 2.000E+11 0.000 23000.0 REV / 2.110E+10 -0.017 12583.0 / NC4H9OO=C4H8OOHAD 3.750E+10 0.000 24200.0 REV / 7.454E+10 -0.391 11296.8 / NC7H16+NC4H9OO=NC7H15A+NC4H9OOH 1.210E+13 0.000 20430.0 REV / 1.244E+13 -0.395 7530.9 / NC7H16+NC4H9OO=NC7H15B+NC4H9OOH 8.060E+12 0.000 17700.0 REV / 6.549E+11 -0.076 7344.3 / NC7H16+NC4H9OO=NC7H15C+NC4H9OOH 8.060E+12 0.000 17700.0 REV / 6.549E+11 -0.076 7344.3 / NC7H16+NC4H9OO=NC7H15D+NC4H9OOH 4.030E+12 0.000 17700.0 REV / 6.555E+11 -0.076 7344.3 / IC8H18+NC4H9OO=IC8H17A+NC4H9OOH 1.815E+13 0.000 20430.0 REV / 1.239E+13 -0.395 7530.5 / IC8H18+NC4H9OO=IC8H17B+NC4H9OOH 4.030E+12 0.000 17700.0 REV / 6.657E+11 -0.078 7348.3 / IC8H18+NC4H9OO=IC8H17C+NC4H9OOH 2.000E+12 0.000 16000.0 REV / 1.305E+11 0.100 7486.6 / IC8H18+NC4H9OO=IC8H17D+NC4H9OOH 1.210E+13 0.000 20430.0 REV / 2.478E+13 -0.395 7530.5 / HO2+NC4H9OO=O2+NC4H9OOH 1.750E+10 0.000 -3275.0 REV / 7.527E+13 -0.791 37113.6 / H2O2+NC4H9OO=HO2+NC4H9OOH 2.400E+12 0.000 10000.0 REV / 3.879E+13 -0.335 9956.9 / NC4H9OO+NC7H15A=>NC4H9O+C7H15OA 7.000E+12 0.000 -1000.0 NC4H9OO+NC7H15B=>NC4H9O+C7H15OB 7.000E+12 0.000 -1000.0 NC4H9OO+NC7H15C=>NC4H9O+C7H15OC 7.000E+12 0.000 -1000.0 NC4H9OO+NC7H15D=>NC4H9O+C7H15OD 7.000E+12 0.000 -1000.0 NC4H9OO+IC8H17A=>NC4H9O+C8H17OA 7.000E+12 0.000 -1000.0 NC4H9OO+IC8H17B=>NC4H9O+C8H17OB 7.000E+12 0.000 -1000.0 NC4H9OO+IC8H17C=>NC4H9O+C8H17OC 7.000E+12 0.000 -1000.0 NC4H9OO+IC8H17D=>NC4H9O+C8H17OD 7.000E+12 0.000 -1000.0 NC4H9OO+CH3=>NC4H9O+CH3O 7.000E+12 0.000 -1000.0 NC4H9OO+C8H17OOA=>NC4H9O+C8H17OA+O2 1.400E+16 -1.610 1860.0 NC4H9OO+C8H17OOB=>NC4H9O+C8H17OB+O2 1.400E+16 -1.610 1860.0 NC4H9OO+C8H17OOC=>NC4H9O+C8H17OC+O2 1.400E+16 -1.610 1860.0 NC4H9OO+C8H17OOD=>NC4H9O+C8H17OD+O2 1.400E+16 -1.610 1860.0 NC4H9OO+CH3OO=>NC4H9O+CH3O+O2 1.400E+16 -1.610 1860.0 NC4H9O=CH2O+NC3H7 1.000E+11 0.000 11900.0 REV / 8.445E+00 2.273 798.8 / C7H14A+H=C7H13A+H2 2.500E+12 0.000 900.0 REV / 8.958E+10 0.448 19017.5 / C7H14A+OH=C7H13A+H2O 5.500E+12 0.000 2100.0 REV / 2.980E+12 0.289 35736.5 / C7H14A+CH3=C7H13A+CH4 7.000E+10 0.000 8500.0 REV / 1.213E+12 0.092 28066.5 / C7H14A+O=>C6H13D+HCO 7.300E+12 0.000 1710.0 !************************************************************************************* ! IC4H8+H=IC4H7A+H2 5.000E+12 0.000 1100.0 ! REV / 1.897E+11 0.150 16643.0 / ! IC4H8+OH=IC4H7A+H2O 1.110E+13 0.000 2319.0 ! REV / 6.370E+12 -0.009 33380.9 / ! IC4H8+CH3=IC4H7A+CH4 1.400E+11 0.000 8800.0 ! REV / 2.569E+12 -0.207 25791.9 / ! IC4H8+O=>IC3H7+HCO 7.300E+12 0.000 1710.0 ! IC4H8+O=CH2CO+CH3+CH3 3.330E+07 1.76 7.600E+01 !CPW2002 REV / 0.000E+00 0.00 0.000E+00 / IC4H8+H=IC4H7A+H2 3.400E+05 2.50 2.492E+03 !CPW2002 REV / 6.891E+06 1.89 2.010E+04 / IC4H8+O=IC4H7A+OH 1.206E+11 0.70 7.633E+03 !CPW2002 REV / 1.074E+12 0.09 2.315E+04 / IC4H8+OH=IC4H7A+H2O 5.200E+06 2.00 -2.980E+02 !CPW2002 REV / 4.563E+08 1.39 3.247E+04 / IC4H8+O=IC3H7+HCO 1.580E+07 1.76 -1.216E+03 !CPW2002 REV / 1.750E+09 0.49 2.758E+04 / IC4H8+CH3OO=IC4H7A+CH3OOH 1.928E+04 2.60 1.391E+04 !CPW2002 REV / 2.091E+07 1.49 1.219E+04 / IC4H8+CH3=IC4H7A+CH4 4.420E+00 3.50 5.675E+03 !CPW2002 REV / 2.340E+03 2.89 2.377E+04 / IC4H8+HO2=IC4H7A+H2O2 1.928E+04 2.60 1.391E+04 !CPW2002 REV / 1.004E+07 1.66 1.521E+04 / IC4H7A=AC3H4+CH3 1.230E+47 -9.74 7.426E+04 !CPW2002 REV / 3.017E+41 -8.70 2.662E+04 / IC4H7A+O2=AC3H4+CH2O+OH 7.290E+29 -5.71 2.145E+04 !CPW2002 REV / 0.000E+00 0.00 0.000E+00 / IC4H7A+O2=CH3COCH2+CH2O 7.140E+15 -1.21 2.105E+04 !CPW2002 REV / 1.226E+15 -1.20 9.019E+04 / !**************************************************************************************** !IC4H8 UNIMOLECULAR DECOMPOSITON REACTIONS WAS ADDED !REFERENCE: BAUGE ET AL. INT. J. CHEM. KINET., 30: 629-640 (1998) ! CH3+AC3H5=IC4H8 2.100E+12 0.000 0.0 ! IC4H7A+H=IC4H8 7.200E+11 0.000 0.0 ! IC4H8 = TC3H5+CH3 1.920E+66 -14.22 1.281E+05 !CPW2002 REV / 2.089E+59 -13.23 2.953E+04 / IC4H8 = IC4H7A+H 3.070E+55 -11.49 1.143E+05 !CPW2002 REV / 3.300E+52 -11.10 2.446E+04 / !******************************************************************************************* !******************************************************************************************* ! C8H17OOA=C8H16OOHA 2.000E+11 0.000 23000.0 ! REV / 1.466E+10 0.032 12533.0 / ! C8H17OOA=C8H16OOHB 1.250E+10 0.000 20000.0 ! REV / 7.525E+08 0.112 11479.5 / ! C8H17OOA=C8H16OOHC 6.000E+11 0.000 25300.0 ! REV / 1.080E+12 -0.377 12387.1 / C8H17OOA=C8H16OOHA 2.000E+11 0.000 22000.0 C8H17OOA=C8H16OOHB 1.250E+10 0.000 19000.0 C8H17OOA=C8H16OOHC 6.000E+11 0.000 24300.0 !******************************************************************************************* NC7H16+C8H17OOA=NC7H15A+C8H17OOHA 1.210E+13 0.000 20430.0 REV / 1.081E+13 -0.376 7513.8 / NC7H16+C8H17OOA=NC7H15B+C8H17OOHA 8.060E+12 0.000 17700.0 REV / 5.691E+11 -0.056 7327.3 / NC7H16+C8H17OOA=NC7H15C+C8H17OOHA 8.060E+12 0.000 17700.0 REV / 5.691E+11 -0.056 7327.3 / NC7H16+C8H17OOA=NC7H15D+C8H17OOHA 4.030E+12 0.000 17700.0 REV / 5.696E+11 -0.056 7327.3 / IC8H18+C8H17OOA=IC8H17A+C8H17OOHA 1.815E+13 0.000 20430.0 REV / 1.077E+13 -0.375 7513.5 / IC8H18+C8H17OOA=IC8H17B+C8H17OOHA 4.030E+12 0.000 17700.0 REV / 5.784E+11 -0.058 7331.2 / IC8H18+C8H17OOA=IC8H17C+C8H17OOHA 2.000E+12 0.000 16000.0 REV / 1.134E+11 0.119 7469.5 / IC8H18+C8H17OOA=IC8H17D+C8H17OOHA 1.210E+13 0.000 20430.0 REV / 2.153E+13 -0.375 7513.5 / HO2+C8H17OOA=O2+C8H17OOHA 1.750E+10 0.000 -3275.0 REV / 6.540E+13 -0.771 37096.5 / H2O2+C8H17OOA=HO2+C8H17OOHA 2.400E+12 0.000 10000.0 REV / 3.370E+13 -0.315 9939.8 / C8H17OOA+NC7H15A=>C8H17OA+C7H15OA 7.000E+12 0.000 -1000.0 C8H17OOA+NC7H15B=>C8H17OA+C7H15OB 7.000E+12 0.000 -1000.0 C8H17OOA+NC7H15C=>C8H17OA+C7H15OC 7.000E+12 0.000 -1000.0 C8H17OOA+NC7H15D=>C8H17OA+C7H15OD 7.000E+12 0.000 -1000.0 C8H17OOA+IC8H17A=>C8H17OA+C8H17OA 7.000E+12 0.000 -1000.0 C8H17OOA+IC8H17B=>C8H17OA+C8H17OB 7.000E+12 0.000 -1000.0 C8H17OOA+IC8H17C=>C8H17OA+C8H17OC 7.000E+12 0.000 -1000.0 C8H17OOA+IC8H17D=>C8H17OA+C8H17OD 7.000E+12 0.000 -1000.0 C8H17OOA+CH3=>C8H17OA+CH3O 7.000E+12 0.000 -1000.0 C8H17OOA+C8H17OOA=>C8H17OA+C8H17OA+O2 1.400E+16 -1.610 1860.0 C8H17OOA+C8H17OOB=>C8H17OA+C8H17OB+O2 1.400E+16 -1.610 1860.0 C8H17OOA+C8H17OOC=>C8H17OA+C8H17OC+O2 1.400E+16 -1.610 1860.0 C8H17OOA+C8H17OOD=>C8H17OA+C8H17OD+O2 1.400E+16 -1.610 1860.0 C8H17OOA+CH3OO=>C8H17OA+CH3O+O2 1.400E+16 -1.610 1860.0 C8H17OA=CH2O+C7H15A 1.000E+11 0.000 11900.0 REV / 5.063E-03 3.074 2279.5 / C7H14B+H=C7H13B+H2 5.000E+12 0.000 1100.0 REV / 3.512E+11 0.277 17347.4 / C7H14B+OH=C7H13B+H2O 1.110E+13 0.000 2319.0 REV / 1.179E+13 0.118 34085.3 / C7H14B+CH3=C7H13B+CH4 1.400E+11 0.000 8800.0 REV / 4.755E+12 -0.080 26496.4 / C7H14B+O=>CH3CHCHO+TC4H9 7.100E+12 0.000 630.0 C7H14C+H=C7H13C+H2 1.250E+12 0.000 800.0 REV / 3.764E+10 0.583 21104.1 / C7H14C+OH=C7H13C+H2O 2.750E+12 0.000 2000.0 REV / 1.252E+12 0.424 37823.0 / C7H14C+CH3=C7H13C+CH4 3.500E+10 0.000 8300.0 REV / 5.096E+11 0.227 30053.1 / C7H14C+O=>IC3H6VCHO+IC3H7 7.100E+12 0.000 630.0 C8H17OOB=>C8H16A+HO2 3.000E+12 0.000 63700.0 !******************************************************************************* ! C8H17OOB=C8H16OOHD 9.000E+11 0.000 24950.0 ! REV / 5.198E+11 -0.371 12034.1 / ! C8H17OOB=C8H16OOHE 8.000E+11 0.000 29810.0 ! REV / 7.874E+10 0.041 21341.3 / ! C8H17OOB=C8H16OOHF 6.000E+11 0.000 24950.0 ! REV / 1.040E+12 -0.371 12034.1 / C8H17OOB=C8H16OOHD 9.000E+11 0.000 23950.0 C8H17OOB=C8H16OOHE 8.000E+11 0.000 28810.0 C8H17OOB=C8H16OOHF 6.000E+11 0.000 23950.0 !******************************************************************************* NC7H16+C8H17OOB=NC7H15A+C8H17OOHB 1.210E+13 0.000 20430.0 REV / 1.075E+13 -0.374 7515.5 / NC7H16+C8H17OOB=NC7H15B+C8H17OOHB 8.060E+12 0.000 17700.0 REV / 5.656E+11 -0.055 7329.0 / NC7H16+C8H17OOB=NC7H15C+C8H17OOHB 8.060E+12 0.000 17700.0 REV / 5.656E+11 -0.055 7329.0 / NC7H16+C8H17OOB=NC7H15D+C8H17OOHB 4.030E+12 0.000 17700.0 REV / 5.661E+11 -0.055 7329.0 / IC8H18+C8H17OOB=IC8H17A+C8H17OOHB 1.815E+13 0.000 20430.0 REV / 1.070E+13 -0.374 7515.2 / IC8H18+C8H17OOB=IC8H17B+C8H17OOHB 4.030E+12 0.000 17700.0 REV / 5.749E+11 -0.057 7332.9 / IC8H18+C8H17OOB=IC8H17C+C8H17OOHB 2.000E+12 0.000 16000.0 REV / 1.127E+11 0.121 7471.2 / IC8H18+C8H17OOB=IC8H17D+C8H17OOHB 1.210E+13 0.000 20430.0 REV / 2.140E+13 -0.374 7515.2 / HO2+C8H17OOB=O2+C8H17OOHB 1.750E+10 0.000 -3275.0 REV / 6.500E+13 -0.770 37098.2 / H2O2+C8H17OOB=HO2+C8H17OOHB 2.400E+12 0.000 10000.0 REV / 3.349E+13 -0.314 9941.5 / C8H17OOB+NC7H15A=>C8H17OB+C7H15OA 7.000E+12 0.000 -1000.0 C8H17OOB+NC7H15B=>C8H17OB+C7H15OB 7.000E+12 0.000 -1000.0 C8H17OOB+NC7H15C=>C8H17OB+C7H15OC 7.000E+12 0.000 -1000.0 C8H17OOB+NC7H15D=>C8H17OB+C7H15OD 7.000E+12 0.000 -1000.0 C8H17OOB+IC8H17A=>C8H17OB+C8H17OA 7.000E+12 0.000 -1000.0 C8H17OOB+IC8H17B=>C8H17OB+C8H17OB 7.000E+12 0.000 -1000.0 C8H17OOB+IC8H17C=>C8H17OB+C8H17OC 7.000E+12 0.000 -1000.0 C8H17OOB+IC8H17D=>C8H17OB+C8H17OD 7.000E+12 0.000 -1000.0 C8H17OOB+CH3=>C8H17OB+CH3O 7.000E+12 0.000 -1000.0 C8H17OOB+C8H17OOB=>C8H17OB+C8H17OB+O2 1.400E+16 -1.610 1860.0 C8H17OOB+C8H17OOC=>C8H17OB+C8H17OC+O2 1.400E+16 -1.610 1860.0 C8H17OOB+C8H17OOD=>C8H17OB+C8H17OD+O2 1.400E+16 -1.610 1860.0 C8H17OOB+CH3OO=>C8H17OB+CH3O+O2 1.400E+16 -1.610 1860.0 C8H17OB=C4H9CHOB+IC3H7 1.000E+11 0.000 11900.0 REV / 9.816E-03 2.879 2524.2 / C8H17OB=IC3H7CHO+TC4H9 1.000E+11 0.000 11900.0 REV / 9.302E-05 3.420 4342.8 / C8H17OOC=>C8H16A+HO2 6.000E+12 0.000 55730.0 C8H17OOC=>C8H16B+HO2 1.800E+13 0.000 56480.0 !******************************************************************************* ! C8H17OOC=C8H16OOHG 1.600E+12 0.000 32510.0 ! REV / 1.264E+11 0.023 22054.9 / ! C8H17OOC=C8H16OOHH 1.125E+11 0.000 23200.0 ! REV / 6.736E+10 -0.377 10286.9 / ! C8H17OOC=C8H16OOHI 4.800E+12 0.000 36190.0 ! REV / 8.628E+12 -0.377 23276.9 / C8H17OOC=C8H16OOHG 1.600E+12 0.000 31510.0 C8H17OOC=C8H16OOHH 1.125E+11 0.000 22200.0 C8H17OOC=C8H16OOHI 4.800E+12 0.000 35190.0 !******************************************************************************* NC7H16+C8H17OOC=NC7H15A+C8H17OOHC 1.210E+13 0.000 20430.0 REV / 1.093E+13 -0.377 7514.9 / NC7H16+C8H17OOC=NC7H15B+C8H17OOHC 8.060E+12 0.000 17700.0 REV / 5.752E+11 -0.058 7328.4 / NC7H16+C8H17OOC=NC7H15C+C8H17OOHC 8.060E+12 0.000 17700.0 REV / 5.752E+11 -0.058 7328.4 / NC7H16+C8H17OOC=NC7H15D+C8H17OOHC 4.030E+12 0.000 17700.0 REV / 5.758E+11 -0.058 7328.4 / IC8H18+C8H17OOC=IC8H17A+C8H17OOHC 1.815E+13 0.000 20430.0 REV / 1.089E+13 -0.377 7514.5 / IC8H18+C8H17OOC=IC8H17B+C8H17OOHC 4.030E+12 0.000 17700.0 REV / 5.847E+11 -0.060 7332.3 / IC8H18+C8H17OOC=IC8H17C+C8H17OOHC 2.000E+12 0.000 16000.0 REV / 1.146E+11 0.118 7470.6 / IC8H18+C8H17OOC=IC8H17D+C8H17OOHC 1.210E+13 0.000 20430.0 REV / 2.176E+13 -0.377 7514.5 / HO2+C8H17OOC=O2+C8H17OOHC 1.750E+10 0.000 -3275.0 REV / 6.611E+13 -0.773 37097.6 / H2O2+C8H17OOC=HO2+C8H17OOHC 2.400E+12 0.000 10000.0 REV / 3.407E+13 -0.317 9940.9 / C8H17OOC+NC7H15A=>C8H17OC+C7H15OA 7.000E+12 0.000 -1000.0 C8H17OOC+NC7H15B=>C8H17OC+C7H15OB 7.000E+12 0.000 -1000.0 C8H17OOC+NC7H15C=>C8H17OC+C7H15OC 7.000E+12 0.000 -1000.0 C8H17OOC+NC7H15D=>C8H17OC+C7H15OD 7.000E+12 0.000 -1000.0 C8H17OOC+IC8H17A=>C8H17OC+C8H17OA 7.000E+12 0.000 -1000.0 C8H17OOC+IC8H17B=>C8H17OC+C8H17OB 7.000E+12 0.000 -1000.0 C8H17OOC+IC8H17C=>C8H17OC+C8H17OC 7.000E+12 0.000 -1000.0 C8H17OOC+IC8H17D=>C8H17OC+C8H17OD 7.000E+12 0.000 -1000.0 C8H17OOC+CH3=>C8H17OC+CH3O 7.000E+12 0.000 -1000.0 C8H17OOC+C8H17OOC=>C8H17OC+C8H17OC+O2 1.400E+16 -1.610 1860.0 C8H17OOC+C8H17OOD=>C8H17OC+C8H17OD+O2 1.400E+16 -1.610 1860.0 C8H17OOC+CH3OO=>C8H17OC+CH3O+O2 1.400E+16 -1.610 1860.0 C8H17OC=C6H14COA+CH3 2.000E+11 0.000 11900.0 REV / 1.115E+00 2.463 4533.9 / C8H17OC=CH3COCH3+C5H11B 1.000E+11 0.000 11900.0 REV / 3.574E-02 2.797 5747.5 / C7H14D+H=C7H13B+H2 2.500E+12 0.000 900.0 REV / 1.000E+11 0.432 19030.2 / C7H14D+OH=C7H13B+H2O 5.500E+12 0.000 2100.0 REV / 3.328E+12 0.273 35749.2 / C7H14D+CH3=C7H13B+CH4 7.000E+10 0.000 8500.0 REV / 1.354E+12 0.076 28079.2 / C7H14D+O=>C6H13E+HCO 7.300E+12 0.000 1710.0 C8H17OOD=>C8H16B+HO2 3.000E+12 0.000 37230.0 !******************************************************************************* ! C8H17OOD=C8H16OOHJ 8.000E+11 0.000 30280.0 ! REV / 2.409E+10 0.112 21759.5 / ! C8H17OOD=C8H16OOHK 2.000E+11 0.000 23000.0 ! REV / 1.466E+10 0.032 12533.0 / ! C8H17OOD=C8H16OOHL 3.000E+11 0.000 25300.0 ! REV / 5.399E+11 -0.377 12387.1 / C8H17OOD=C8H16OOHJ 8.000E+11 0.000 29280.0 C8H17OOD=C8H16OOHK 2.000E+11 0.000 22000.0 C8H17OOD=C8H16OOHL 3.000E+11 0.000 24300.0 !******************************************************************************* NC7H16+C8H17OOD=NC7H15A+C8H17OOHD 1.210E+13 0.000 20430.0 REV / 1.081E+13 -0.376 7513.8 / NC7H16+C8H17OOD=NC7H15B+C8H17OOHD 8.060E+12 0.000 17700.0 REV / 5.691E+11 -0.056 7327.3 / NC7H16+C8H17OOD=NC7H15C+C8H17OOHD 8.060E+12 0.000 17700.0 REV / 5.691E+11 -0.056 7327.3 / NC7H16+C8H17OOD=NC7H15D+C8H17OOHD 4.030E+12 0.000 17700.0 REV / 5.696E+11 -0.056 7327.3 / IC8H18+C8H17OOD=IC8H17A+C8H17OOHD 1.815E+13 0.000 20430.0 REV / 1.077E+13 -0.375 7513.5 / IC8H18+C8H17OOD=IC8H17B+C8H17OOHD 4.030E+12 0.000 17700.0 REV / 5.785E+11 -0.058 7331.2 / IC8H18+C8H17OOD=IC8H17C+C8H17OOHD 2.000E+12 0.000 16000.0 REV / 1.134E+11 0.119 7469.5 / IC8H18+C8H17OOD=IC8H17D+C8H17OOHD 1.210E+13 0.000 20430.0 REV / 2.153E+13 -0.375 7513.5 / HO2+C8H17OOD=O2+C8H17OOHD 1.750E+10 0.000 -3275.0 REV / 6.541E+13 -0.771 37096.5 / H2O2+C8H17OOD=HO2+C8H17OOHD 2.400E+12 0.000 10000.0 REV / 3.370E+13 -0.315 9939.8 / C8H17OOD+NC7H15A=>C8H17OD+C7H15OA 7.000E+12 0.000 -1000.0 C8H17OOD+NC7H15B=>C8H17OD+C7H15OB 7.000E+12 0.000 -1000.0 C8H17OOD+NC7H15C=>C8H17OD+C7H15OC 7.000E+12 0.000 -1000.0 C8H17OOD+NC7H15D=>C8H17OD+C7H15OD 7.000E+12 0.000 -1000.0 C8H17OOD+IC8H17A=>C8H17OD+C8H17OA 7.000E+12 0.000 -1000.0 C8H17OOD+IC8H17B=>C8H17OD+C8H17OB 7.000E+12 0.000 -1000.0 C8H17OOD+IC8H17C=>C8H17OD+C8H17OC 7.000E+12 0.000 -1000.0 C8H17OOD+IC8H17D=>C8H17OD+C8H17OD 7.000E+12 0.000 -1000.0 C8H17OOD+CH3=>C8H17OD+CH3O 7.000E+12 0.000 -1000.0 C8H17OOD+C8H17OOD=>C8H17OD+C8H17OD+O2 1.400E+16 -1.610 1860.0 C8H17OOD+CH3OO=>C8H17OD+CH3O+O2 1.400E+16 -1.610 1860.0 C8H17OD=CH2O+C7H15B 1.000E+11 0.000 11900.0 REV / 8.752E-02 2.685 1003.6 / C7H15OOE=>C7H14C+HO2 6.000E+12 0.000 50290.0 C7H15OOE=>C7H14A+HO2 1.800E+13 0.000 51040.0 C7H15OOE=C7H14OOHP 1.600E+12 0.000 32510.0 REV / 1.405E+11 0.008 22068.7 / C7H15OOE=C7H14OOHQ 1.000E+11 0.000 19800.0 REV / 6.066E+09 0.112 11283.9 / C7H15OOE=C7H14OOHR 7.500E+10 0.000 23200.0 REV / 1.346E+11 -0.376 10285.4 / C7H15OOE=C7H14OOHS 4.800E+12 0.000 36190.0 REV / 8.614E+12 -0.376 23275.4 / NC7H16+C7H15OOE=NC7H15A+C7H15OOHE 1.210E+13 0.000 20430.0 REV / 1.095E+13 -0.377 7516.5 / NC7H16+C7H15OOE=NC7H15B+C7H15OOHE 8.060E+12 0.000 17700.0 REV / 5.763E+11 -0.058 7329.9 / NC7H16+C7H15OOE=NC7H15C+C7H15OOHE 8.060E+12 0.000 17700.0 REV / 5.763E+11 -0.058 7329.9 / NC7H16+C7H15OOE=NC7H15D+C7H15OOHE 4.030E+12 0.000 17700.0 REV / 5.769E+11 -0.058 7329.9 / IC8H18+C7H15OOE=IC8H17A+C7H15OOHE 1.815E+13 0.000 20430.0 REV / 1.091E+13 -0.377 7516.1 / IC8H18+C7H15OOE=IC8H17B+C7H15OOHE 4.030E+12 0.000 17700.0 REV / 5.858E+11 -0.060 7333.8 / IC8H18+C7H15OOE=IC8H17C+C7H15OOHE 2.000E+12 0.000 16000.0 REV / 1.148E+11 0.118 7472.1 / IC8H18+C7H15OOE=IC8H17D+C7H15OOHE 1.210E+13 0.000 20430.0 REV / 2.180E+13 -0.377 7516.1 / HO2+C7H15OOE=O2+C7H15OOHE 1.750E+10 0.000 -3275.0 REV / 6.624E+13 -0.773 37099.2 / H2O2+C7H15OOE=HO2+C7H15OOHE 2.400E+12 0.000 10000.0 REV / 3.413E+13 -0.317 9942.5 / C7H15OOE+NC7H15A=>C7H15OE+C7H15OA 7.000E+12 0.000 -1000.0 C7H15OOE+NC7H15B=>C7H15OE+C7H15OB 7.000E+12 0.000 -1000.0 C7H15OOE+NC7H15C=>C7H15OE+C7H15OC 7.000E+12 0.000 -1000.0 C7H15OOE+NC7H15D=>C7H15OE+C7H15OD 7.000E+12 0.000 -1000.0 C7H15OOE+IC8H17A=>C7H15OE+C8H17OA 7.000E+12 0.000 -1000.0 C7H15OOE+IC8H17B=>C7H15OE+C8H17OB 7.000E+12 0.000 -1000.0 C7H15OOE+IC8H17C=>C7H15OE+C8H17OC 7.000E+12 0.000 -1000.0 C7H15OOE+IC8H17D=>C7H15OE+C8H17OD 7.000E+12 0.000 -1000.0 C7H15OOE+CH3=>C7H15OE+CH3O 7.000E+12 0.000 -1000.0 C7H15OOE+CH3OO=>C7H15OE+CH3O+O2 1.400E+16 -1.610 1860.0 C7H15OE=C5H12COA+CH3 2.000E+11 0.000 11900.0 REV / 1.093E+00 2.466 4530.9 / C7H15OE=CH3COCH3+IC4H9 1.000E+11 0.000 11900.0 REV / 5.694E-02 2.735 5820.7 / TC4H9OO=>IC4H8+HO2 2.700E+13 0.000 30560.0 TC4H9OO=C4H8OOHTI 7.200E+12 0.000 36190.0 REV / 4.260E+12 -0.375 23274.8 / NC7H16+TC4H9OO=NC7H15A+TC4H9OOH 1.210E+13 0.000 20430.0 REV / 1.101E+13 -0.378 7518.9 / NC7H16+TC4H9OO=NC7H15B+TC4H9OOH 8.060E+12 0.000 17700.0 REV / 5.795E+11 -0.059 7332.4 / NC7H16+TC4H9OO=NC7H15C+TC4H9OOH 8.060E+12 0.000 17700.0 REV / 5.795E+11 -0.059 7332.4 / NC7H16+TC4H9OO=NC7H15D+TC4H9OOH 4.030E+12 0.000 17700.0 REV / 5.800E+11 -0.059 7332.4 / IC8H18+TC4H9OO=IC8H17A+TC4H9OOH 1.815E+13 0.000 20430.0 REV / 1.096E+13 -0.378 7518.6 / IC8H18+TC4H9OO=IC8H17B+TC4H9OOH 4.030E+12 0.000 17700.0 REV / 5.890E+11 -0.061 7336.3 / IC8H18+TC4H9OO=IC8H17C+TC4H9OOH 2.000E+12 0.000 16000.0 REV / 1.155E+11 0.117 7474.6 / IC8H18+TC4H9OO=IC8H17D+TC4H9OOH 1.210E+13 0.000 20430.0 REV / 2.192E+13 -0.378 7518.6 / HO2+TC4H9OO=O2+TC4H9OOH 1.750E+10 0.000 -3275.0 REV / 6.660E+13 -0.774 37101.6 / H2O2+TC4H9OO=HO2+TC4H9OOH 2.400E+12 0.000 10000.0 REV / 3.432E+13 -0.318 9944.9 / TC4H9OO+NC7H15A=>TC4H9O+C7H15OA 7.000E+12 0.000 -1000.0 TC4H9OO+NC7H15B=>TC4H9O+C7H15OB 7.000E+12 0.000 -1000.0 TC4H9OO+NC7H15C=>TC4H9O+C7H15OC 7.000E+12 0.000 -1000.0 TC4H9OO+NC7H15D=>TC4H9O+C7H15OD 7.000E+12 0.000 -1000.0 TC4H9OO+IC8H17A=>TC4H9O+C8H17OA 7.000E+12 0.000 -1000.0 TC4H9OO+IC8H17B=>TC4H9O+C8H17OB 7.000E+12 0.000 -1000.0 TC4H9OO+IC8H17C=>TC4H9O+C8H17OC 7.000E+12 0.000 -1000.0 TC4H9OO+IC8H17D=>TC4H9O+C8H17OD 7.000E+12 0.000 -1000.0 TC4H9OO+CH3=>TC4H9O+CH3O 7.000E+12 0.000 -1000.0 TC4H9OO+CH3OO=>TC4H9O+CH3O+O2 1.400E+16 -1.610 1860.0 TC4H9O=CH3COCH3+CH3 3.000E+11 0.000 11900.0 REV / 1.670E+00 2.441 4270.3 / IC4H9OO=>IC4H8+HO2 3.000E+12 0.000 37230.0 IC4H9OO=C4H8OOHIT 8.000E+11 0.000 30280.0 REV / 5.611E+10 0.088 21770.7 / IC4H9OO=C4H8OOHII 6.000E+11 0.000 25300.0 REV / 1.093E+12 -0.378 12389.4 / NC7H16+IC4H9OO=NC7H15A+IC4H9OOH 1.210E+13 0.000 20430.0 REV / 1.094E+13 -0.378 7515.1 / NC7H16+IC4H9OO=NC7H15B+IC4H9OOH 8.060E+12 0.000 17700.0 REV / 5.760E+11 -0.058 7328.5 / NC7H16+IC4H9OO=NC7H15C+IC4H9OOH 8.060E+12 0.000 17700.0 REV / 5.760E+11 -0.058 7328.5 / NC7H16+IC4H9OO=NC7H15D+IC4H9OOH 4.030E+12 0.000 17700.0 REV / 5.765E+11 -0.058 7328.5 / IC8H18+IC4H9OO=IC8H17A+IC4H9OOH 1.815E+13 0.000 20430.0 REV / 1.090E+13 -0.377 7514.7 / IC8H18+IC4H9OO=IC8H17B+IC4H9OOH 4.030E+12 0.000 17700.0 REV / 5.855E+11 -0.060 7332.5 / IC8H18+IC4H9OO=IC8H17C+IC4H9OOH 2.000E+12 0.000 16000.0 REV / 1.148E+11 0.117 7470.8 / IC8H18+IC4H9OO=IC8H17D+IC4H9OOH 1.210E+13 0.000 20430.0 REV / 2.179E+13 -0.377 7514.7 / HO2+IC4H9OO=O2+IC4H9OOH 1.750E+10 0.000 -3275.0 REV / 6.620E+13 -0.773 37097.8 / H2O2+IC4H9OO=HO2+IC4H9OOH 2.400E+12 0.000 10000.0 REV / 3.411E+13 -0.317 9941.1 / IC4H9OO+NC7H15A=>IC4H9O+C7H15OA 7.000E+12 0.000 -1000.0 IC4H9OO+NC7H15B=>IC4H9O+C7H15OB 7.000E+12 0.000 -1000.0 IC4H9OO+NC7H15C=>IC4H9O+C7H15OC 7.000E+12 0.000 -1000.0 IC4H9OO+NC7H15D=>IC4H9O+C7H15OD 7.000E+12 0.000 -1000.0 IC4H9OO+IC8H17A=>IC4H9O+C8H17OA 7.000E+12 0.000 -1000.0 IC4H9OO+IC8H17B=>IC4H9O+C8H17OB 7.000E+12 0.000 -1000.0 IC4H9OO+IC8H17C=>IC4H9O+C8H17OC 7.000E+12 0.000 -1000.0 IC4H9OO+IC8H17D=>IC4H9O+C8H17OD 7.000E+12 0.000 -1000.0 IC4H9OO+CH3=>IC4H9O+CH3O 7.000E+12 0.000 -1000.0 IC4H9OO+CH3OO=>IC4H9O+CH3O+O2 1.400E+16 -1.610 1860.0 IC4H9O=CH2O+IC3H7 1.000E+11 0.000 11900.0 REV / 2.979E-01 2.613 1083.7 / C5H11OOB=C5H10OOHD 9.000E+11 0.000 25300.0 REV / 5.346E+11 -0.376 12382.9 / NC7H16+C5H11OOB=NC7H15A+C5H11OOHB 1.210E+13 0.000 20430.0 REV / 1.091E+13 -0.377 7514.3 / NC7H16+C5H11OOB=NC7H15B+C5H11OOHB 8.060E+12 0.000 17700.0 REV / 5.740E+11 -0.058 7327.7 / NC7H16+C5H11OOB=NC7H15C+C5H11OOHB 8.060E+12 0.000 17700.0 REV / 5.740E+11 -0.058 7327.7 / NC7H16+C5H11OOB=NC7H15D+C5H11OOHB 4.030E+12 0.000 17700.0 REV / 5.745E+11 -0.058 7327.7 / IC8H18+C5H11OOB=IC8H17A+C5H11OOHB 1.815E+13 0.000 20430.0 REV / 1.086E+13 -0.377 7513.9 / IC8H18+C5H11OOB=IC8H17B+C5H11OOHB 4.030E+12 0.000 17700.0 REV / 5.835E+11 -0.060 7331.7 / IC8H18+C5H11OOB=IC8H17C+C5H11OOHB 2.000E+12 0.000 16000.0 REV / 1.144E+11 0.118 7470.0 / IC8H18+C5H11OOB=IC8H17D+C5H11OOHB 1.210E+13 0.000 20430.0 REV / 2.171E+13 -0.377 7513.9 / HO2+C5H11OOB=O2+C5H11OOHB 1.750E+10 0.000 -3275.0 REV / 6.597E+13 -0.773 37097.0 / H2O2+C5H11OOB=HO2+C5H11OOHB 2.400E+12 0.000 10000.0 REV / 3.399E+13 -0.317 9940.3 / C5H11OOB+NC7H15A=>C5H11OB+C7H15OA 7.000E+12 0.000 -1000.0 C5H11OOB+NC7H15B=>C5H11OB+C7H15OB 7.000E+12 0.000 -1000.0 C5H11OOB+NC7H15C=>C5H11OB+C7H15OC 7.000E+12 0.000 -1000.0 C5H11OOB+NC7H15D=>C5H11OB+C7H15OD 7.000E+12 0.000 -1000.0 C5H11OOB+IC8H17A=>C5H11OB+C8H17OA 7.000E+12 0.000 -1000.0 C5H11OOB+IC8H17B=>C5H11OB+C8H17OB 7.000E+12 0.000 -1000.0 C5H11OOB+IC8H17C=>C5H11OB+C8H17OC 7.000E+12 0.000 -1000.0 C5H11OOB+IC8H17D=>C5H11OB+C8H17OD 7.000E+12 0.000 -1000.0 C5H11OOB+CH3=>C5H11OB+CH3O 7.000E+12 0.000 -1000.0 C5H11OOB+CH3OO=>C5H11OB+CH3O+O2 1.400E+16 -1.610 1860.0 C5H11OB=CH2O+TC4H9 1.000E+11 0.000 11900.0 REV / 3.175E-03 3.140 2226.9 / IC3H7OO=>C3H6+HO2 1.800E+13 0.000 32140.0 IC3H7OO=C3H6OOHBA 4.800E+12 0.000 37420.0 REV / 8.503E+12 -0.375 24502.6 / NC7H16+IC3H7OO=NC7H15A+IC3H7OOH 1.210E+13 0.000 20430.0 REV / 1.103E+13 -0.378 7517.0 / NC7H16+IC3H7OO=NC7H15B+IC3H7OOH 8.060E+12 0.000 17700.0 REV / 5.807E+11 -0.059 7330.5 / NC7H16+IC3H7OO=NC7H15C+IC3H7OOH 8.060E+12 0.000 17700.0 REV / 5.807E+11 -0.059 7330.5 / NC7H16+IC3H7OO=NC7H15D+IC3H7OOH 4.030E+12 0.000 17700.0 REV / 5.812E+11 -0.059 7330.5 / IC8H18+IC3H7OO=IC8H17A+IC3H7OOH 1.815E+13 0.000 20430.0 REV / 1.099E+13 -0.378 7516.7 / IC8H18+IC3H7OO=IC8H17B+IC3H7OOH 4.030E+12 0.000 17700.0 REV / 5.902E+11 -0.061 7334.4 / IC8H18+IC3H7OO=IC8H17C+IC3H7OOH 2.000E+12 0.000 16000.0 REV / 1.157E+11 0.117 7472.7 / IC8H18+IC3H7OO=IC8H17D+IC3H7OOH 1.210E+13 0.000 20430.0 REV / 2.197E+13 -0.378 7516.7 / HO2+IC3H7OO=O2+IC3H7OOH 1.750E+10 0.000 -3275.0 REV / 6.674E+13 -0.774 37099.8 / H2O2+IC3H7OO=HO2+IC3H7OOH 2.400E+12 0.000 10000.0 REV / 3.439E+13 -0.318 9943.0 / IC3H7OO+NC7H15A=>IC3H7O+C7H15OA 7.000E+12 0.000 -1000.0 IC3H7OO+NC7H15B=>IC3H7O+C7H15OB 7.000E+12 0.000 -1000.0 IC3H7OO+NC7H15C=>IC3H7O+C7H15OC 7.000E+12 0.000 -1000.0 IC3H7OO+NC7H15D=>IC3H7O+C7H15OD 7.000E+12 0.000 -1000.0 IC3H7OO+IC8H17A=>IC3H7O+C8H17OA 7.000E+12 0.000 -1000.0 IC3H7OO+IC8H17B=>IC3H7O+C8H17OB 7.000E+12 0.000 -1000.0 IC3H7OO+IC8H17C=>IC3H7O+C8H17OC 7.000E+12 0.000 -1000.0 IC3H7OO+IC8H17D=>IC3H7O+C8H17OD 7.000E+12 0.000 -1000.0 IC3H7OO+CH3=>IC3H7O+CH3O 7.000E+12 0.000 -1000.0 IC3H7OO+CH3OO=>IC3H7O+CH3O+O2 1.400E+16 -1.610 1860.0 IC3H7O=CH3CHO+CH3 2.000E+11 0.000 11900.0 REV / 1.177E+01 2.317 1708.5 / C7H14E+H=C7H13D+H2 2.500E+12 0.000 900.0 REV / 9.904E+10 0.433 19027.7 / C7H14E+OH=C7H13D+H2O 5.500E+12 0.000 2100.0 REV / 3.295E+12 0.274 35746.6 / C7H14E+CH3=C7H13D+CH4 7.000E+10 0.000 8500.0 REV / 1.341E+12 0.077 28076.7 / C7H14E+O=>C6H13A+HCO 7.300E+12 0.000 1710.0 C7H14OOHA=>C7H14CYOA+OH 4.000E+13 0.000 14990.0 C7H14OOHA+O2=HOOC7H14OOA 1.000E+12 0.000 -1300.0 REV / 1.521E+22 -2.344 33868.1 / C7H14OOHB=>C6H12A+CH2O+OH 5.000E+13 0.000 29500.0 C7H14OOHB=>C7H14CYOB+OH 5.000E+12 0.000 25610.0 C7H14OOHB+O2=HOOC7H14OOB 1.000E+12 0.000 -1300.0 REV / 1.521E+22 -2.344 33868.1 / C7H14OOHC=>C7H14CYOC+OH 1.260E+12 0.000 17320.0 C7H14OOHC+O2=HOOC7H14OOC 1.000E+12 0.000 -1300.0 REV / 1.521E+22 -2.344 33868.1 / C7H15OOHA=OH+C7H15OA 4.251E+21 -1.903 46251.4 REV / 1.000E+13 0.000 0.0 / ! AC3H5+O2=>CH2O+CH2CHO 4.570E+12 0.000 18800.0 C7H14F+H=C7H13E+H2 2.500E+12 0.000 900.0 REV / 9.913E+10 0.433 19029.2 / C7H14F+OH=C7H13E+H2O 5.500E+12 0.000 2100.0 REV / 3.298E+12 0.275 35748.2 / C7H14F+CH3=C7H13E+CH4 7.000E+10 0.000 8500.0 REV / 1.342E+12 0.077 28078.2 / C7H14F+O=>C5H10VCHOA+CH3 7.100E+12 0.000 630.0 C7H14OOHD=>C7H14CYOD+OH 4.000E+13 0.000 14990.0 C7H14OOHD+O2=HOOC7H14OOD 1.000E+12 0.000 -1300.0 REV / 1.192E+22 -2.315 33817.0 / C7H14OOHE=>C5H10A+CH3CHO+OH 5.000E+13 0.000 29500.0 C7H14OOHE=>C7H14CYOE+OH 5.000E+12 0.000 25610.0 C7H14OOHE+O2=HOOC7H14OOE 1.000E+12 0.000 -1300.0 REV / 1.192E+22 -2.315 33817.0 / C7H14OOHF=>C7H14CYOF+OH 1.260E+12 0.000 17320.0 C7H14OOHF+O2=HOOC7H14OOF 1.000E+12 0.000 -1300.0 REV / 1.192E+22 -2.315 33817.0 / C7H14OOHG=>C7H14CYOA+OH 1.000E+14 0.000 16540.0 C7H14OOHG+O2=HOOC7H14OOG 1.000E+12 0.000 -830.0 REV / 5.315E+19 -1.700 32367.0 / C7H15OOHB=OH+C7H15OB 8.651E+21 -2.002 46340.6 REV / 1.000E+13 0.000 0.0 / C5H11CHOA+H=C5H11COA+H2 1.260E+14 0.000 5600.0 REV / 6.627E+10 0.673 20026.4 / C5H11CHOA+OH=C5H11COA+H2O 5.730E+10 0.510 -1637.0 REV / 4.557E+08 1.024 28308.4 / C5H11CHOA+HO2=C5H11COA+H2O2 2.160E+12 0.000 12000.0 REV / 8.769E+11 -0.059 11254.6 / C5H11CHOA+CH3OO=C5H11COA+CH3OOH 2.000E+12 0.000 11600.0 REV / 5.853E+12 -0.374 8503.3 / C5H11CHOA+H=C5H10VCHOA+H2 9.100E+06 2.000 3500.0 REV / 1.707E+05 2.422 15263.6 / C5H11CHOA+OH=C5H10VCHOA+H2O 4.680E+07 1.610 -1535.0 REV / 1.327E+07 1.873 25747.5 / C5H11CHOA+HO2=C5H10VCHOA+H2O2 2.440E+12 0.000 14800.0 REV / 3.532E+13 -0.310 11391.7 / C5H11CHOA=>HCO+C5H11A 1.197E+23 -1.977 84447.9 C6H11A+O2=>NC3H7CHO+CH2CHO 4.570E+12 0.000 18800.0 NC4H7A+O2=>CH3CHO+CH2CHO 4.570E+12 0.000 18800.0 C7H14G+H=C7H13E+H2 2.500E+12 0.000 900.0 REV / 7.497E+10 0.495 19125.9 / C7H14G+OH=C7H13E+H2O 5.500E+12 0.000 2100.0 REV / 2.494E+12 0.336 35844.9 / C7H14G+CH3=C7H13E+CH4 7.000E+10 0.000 8500.0 REV / 1.015E+12 0.139 28174.9 / C7H14G+O=>C4H8VCHOA+C2H5 7.100E+12 0.000 630.0 C7H14OOHH=>C7H14CYOG+OH 4.000E+13 0.000 14990.0 C7H14OOHH+O2=HOOC7H14OOH 1.000E+12 0.000 -1300.0 REV / 1.192E+22 -2.315 33817.0 / C7H14OOHI=>N1C4H8+C2H5CHO+OH 5.000E+13 0.000 29500.0 C7H14OOHI=>C7H14CYOH+OH 5.000E+12 0.000 25610.0 C7H14OOHI+O2=HOOC7H14OOI 1.000E+12 0.000 -1300.0 REV / 1.192E+22 -2.315 33817.0 / C7H14OOHJ=>C7H14CYOF+OH 1.260E+12 0.000 17320.0 C7H14OOHJ+O2=HOOC7H14OOJ 1.000E+12 0.000 -1300.0 REV / 1.192E+22 -2.315 33817.0 / C7H14OOHK=>C7H14CYOD+OH 4.000E+13 0.000 14990.0 C7H14OOHK+O2=HOOC7H14OOK 1.000E+12 0.000 -1300.0 REV / 1.192E+22 -2.315 33817.0 / C7H14OOHL=>C2H4+C4H9CHOA+OH 5.000E+13 0.000 29500.0 C7H14OOHL=>C7H14CYOB+OH 1.580E+13 0.000 26120.0 C7H14OOHL+O2=HOOC7H14OOL 1.000E+12 0.000 -830.0 REV / 5.315E+19 -1.700 32367.0 / C7H15OOHC=OH+C7H15OC 8.651E+21 -2.002 46340.6 REV / 1.000E+13 0.000 0.0 / C4H9CHOA+H=C4H9COA+H2 1.260E+14 0.000 5600.0 REV / 6.563E+10 0.674 20025.1 / C4H9CHOA+OH=C4H9COA+H2O 5.730E+10 0.510 -1637.0 REV / 4.513E+08 1.025 28307.0 / C4H9CHOA+HO2=C4H9COA+H2O2 2.160E+12 0.000 12000.0 REV / 8.685E+11 -0.058 11253.2 / C4H9CHOA+CH3OO=C4H9COA+CH3OOH 2.000E+12 0.000 11600.0 REV / 5.797E+12 -0.373 8502.0 / C4H9CHOA+H=C4H8VCHOA+H2 9.100E+06 2.000 3500.0 REV / 1.738E+05 2.420 15268.3 / C4H9CHOA+OH=C4H8VCHOA+H2O 4.680E+07 1.610 -1535.0 REV / 1.351E+07 1.871 25752.2 / C4H9CHOA+HO2=C4H8VCHOA+H2O2 2.440E+12 0.000 14800.0 REV / 3.597E+13 -0.312 11396.4 / C4H9CHOA=>HCO+NC4H9 9.773E+22 -1.950 84417.2 C2H5CHO+H=C2H5CO+H2 1.260E+14 0.000 5600.0 REV / 7.175E+10 0.662 20038.7 / C2H5CHO+OH=C2H5CO+H2O 5.730E+10 0.510 -1637.0 REV / 4.934E+08 1.013 28320.6 / C2H5CHO+HO2=C2H5CO+H2O2 2.160E+12 0.000 12000.0 REV / 9.494E+11 -0.070 11266.8 / C2H5CHO+CH3OO=C2H5CO+CH3OOH 2.000E+12 0.000 11600.0 REV / 6.337E+12 -0.385 8515.6 / C2H5CHO+H=CH3CHCHO+H2 9.100E+06 2.000 3500.0 REV / 1.748E+05 2.419 15268.4 / C2H5CHO+OH=CH3CHCHO+H2O 4.680E+07 1.610 -1535.0 REV / 1.359E+07 1.871 25752.4 / C2H5CHO+HO2=CH3CHCHO+H2O2 2.440E+12 0.000 14800.0 REV / 3.618E+13 -0.313 11396.6 / C2H5CHO=>HCO+C2H5 4.769E+23 -2.181 83896.7 C5H9A+O2=>C2H5CHO+CH2CHO 4.570E+13 0.000 18800.0 C7H14OOHM=>C7H14CYOC+OH 1.000E+12 0.000 17420.0 C7H14OOHM+O2=HOOC7H14OOM 1.000E+12 0.000 -830.0 REV / 5.315E+19 -1.700 32367.0 / C7H14OOHN=>C3H6+NC3H7CHO+OH 5.000E+13 0.000 29500.0 C7H14OOHN=>C7H14CYOE+OH 5.000E+12 0.000 25610.0 C7H14OOHN+O2=HOOC7H14OON 1.000E+12 0.000 -1300.0 REV / 1.192E+22 -2.315 33817.0 / C7H14OOHO=>C7H14CYOG+OH 4.000E+13 0.000 14990.0 C7H14OOHO+O2=HOOC7H14OOO 1.000E+12 0.000 -1300.0 REV / 1.192E+22 -2.315 33817.0 / C7H15OOHD=C7H15OD+OH 8.651E+21 -2.002 46340.6 REV / 1.000E+13 0.000 0.0 / NC3H7CHO+H=NC3H7CO+H2 1.260E+14 0.000 5600.0 REV / 8.117E+10 0.645 20057.8 / NC3H7CHO+OH=NC3H7CO+H2O 5.730E+10 0.510 -1637.0 REV / 5.581E+08 0.997 28339.7 / NC3H7CHO+HO2=NC3H7CO+H2O2 2.160E+12 0.000 12000.0 REV / 1.074E+12 -0.087 11285.9 / NC3H7CHO+CH3OO=NC3H7CO+CH3OOH 2.000E+12 0.000 11600.0 REV / 7.169E+12 -0.402 8534.7 / NC3H7CHO+H=C3H6VCHO+H2 9.100E+06 2.000 3500.0 REV / 2.109E+05 2.394 15296.1 / NC3H7CHO+OH=C3H6VCHO+H2O 4.680E+07 1.610 -1535.0 REV / 1.640E+07 1.845 25780.0 / NC3H7CHO+HO2=C3H6VCHO+H2O2 2.440E+12 0.000 14800.0 REV / 4.365E+13 -0.338 11424.2 / NC3H7CHO=>HCO+NC3H7 7.211E+22 -1.909 84372.5 C6H13OOB=>C6H12B+HO2 6.000E+12 0.000 47070.0 C6H13OOB=>C6H12C+HO2 6.000E+12 0.000 47070.0 C6H13OOB=C6H12OOHD 1.600E+12 0.000 33610.0 REV / 1.743E+11 -0.018 23214.2 / C6H13OOB=C6H12OOHE 2.000E+11 0.000 22680.0 REV / 2.179E+10 -0.018 12284.2 / C6H13OOB=C6H12OOHF 3.750E+10 0.000 23880.0 REV / 7.238E+10 -0.386 10975.7 / C6H13OOB=C6H12OOHG 1.600E+12 0.000 33610.0 REV / 1.743E+11 -0.018 23214.2 / C6H13OOB=C6H12OOHH 3.000E+11 0.000 24950.0 REV / 5.790E+11 -0.386 12045.7 / NC7H16+C6H13OOB=NC7H15A+C6H13OOHB 1.210E+13 0.000 20430.0 REV / 1.255E+13 -0.396 7535.8 / NC7H16+C6H13OOB=NC7H15B+C6H13OOHB 8.060E+12 0.000 17700.0 REV / 6.608E+11 -0.077 7349.2 / NC7H16+C6H13OOB=NC7H15C+C6H13OOHB 8.060E+12 0.000 17700.0 REV / 6.608E+11 -0.077 7349.2 / NC7H16+C6H13OOB=NC7H15D+C6H13OOHB 4.030E+12 0.000 17700.0 REV / 6.614E+11 -0.077 7349.2 / IC8H18+C6H13OOB=IC8H17A+C6H13OOHB 1.815E+13 0.000 20430.0 REV / 1.250E+13 -0.395 7535.4 / IC8H18+C6H13OOB=IC8H17B+C6H13OOHB 4.030E+12 0.000 17700.0 REV / 6.717E+11 -0.078 7353.2 / IC8H18+C6H13OOB=IC8H17C+C6H13OOHB 2.000E+12 0.000 16000.0 REV / 1.317E+11 0.099 7491.5 / IC8H18+C6H13OOB=IC8H17D+C6H13OOHB 1.210E+13 0.000 20430.0 REV / 2.500E+13 -0.395 7535.4 / HO2+C6H13OOB=O2+C6H13OOHB 1.750E+10 0.000 -3275.0 REV / 7.595E+13 -0.791 37118.5 / H2O2+C6H13OOB=HO2+C6H13OOHB 2.400E+12 0.000 10000.0 REV / 3.914E+13 -0.335 9961.8 / C6H13OOB+NC7H15A=>C6H13OB+C7H15OA 7.000E+12 0.000 -1000.0 C6H13OOB+NC7H15B=>C6H13OB+C7H15OB 7.000E+12 0.000 -1000.0 C6H13OOB+NC7H15C=>C6H13OB+C7H15OC 7.000E+12 0.000 -1000.0 C6H13OOB+NC7H15D=>C6H13OB+C7H15OD 7.000E+12 0.000 -1000.0 C6H13OOB+IC8H17A=>C6H13OB+C8H17OA 7.000E+12 0.000 -1000.0 C6H13OOB+IC8H17B=>C6H13OB+C8H17OB 7.000E+12 0.000 -1000.0 C6H13OOB+IC8H17C=>C6H13OB+C8H17OC 7.000E+12 0.000 -1000.0 C6H13OOB+IC8H17D=>C6H13OB+C8H17OD 7.000E+12 0.000 -1000.0 C6H13OOB+CH3=>C6H13OB+CH3O 7.000E+12 0.000 -1000.0 C6H13OOB+CH3OO=>C6H13OB+CH3O+O2 1.400E+16 -1.610 1860.0 C6H13OB=NC3H7CHO+C2H5 1.000E+11 0.000 11900.0 REV / 2.171E-02 2.890 3685.6 / C6H13OB=C2H5CHO+NC3H7 1.000E+11 0.000 11900.0 REV / 1.436E-01 2.618 3209.9 / C6H13OOC=>C6H12C+HO2 6.000E+12 0.000 39390.0 C6H13OOC=>C6H12A+HO2 9.000E+12 0.000 40140.0 C6H13OOC=C6H12OOHI 1.600E+12 0.000 33610.0 REV / 1.743E+11 -0.018 23214.2 / C6H13OOC=C6H12OOHJ 2.000E+11 0.000 22680.0 REV / 2.179E+10 -0.018 12284.2 / C6H13OOC=C6H12OOHK 2.500E+10 0.000 21810.0 REV / 2.724E+09 -0.018 11414.2 / C6H13OOC=C6H12OOHL 2.400E+12 0.000 37420.0 REV / 4.632E+12 -0.386 24515.7 / NC7H16+C6H13OOC=NC7H15A+C6H13OOHC 1.210E+13 0.000 20430.0 REV / 1.255E+13 -0.396 7535.8 / NC7H16+C6H13OOC=NC7H15B+C6H13OOHC 8.060E+12 0.000 17700.0 REV / 6.608E+11 -0.077 7349.2 / NC7H16+C6H13OOC=NC7H15C+C6H13OOHC 8.060E+12 0.000 17700.0 REV / 6.608E+11 -0.077 7349.2 / NC7H16+C6H13OOC=NC7H15D+C6H13OOHC 4.030E+12 0.000 17700.0 REV / 6.614E+11 -0.077 7349.2 / IC8H18+C6H13OOC=IC8H17A+C6H13OOHC 1.815E+13 0.000 20430.0 REV / 1.250E+13 -0.395 7535.4 / IC8H18+C6H13OOC=IC8H17B+C6H13OOHC 4.030E+12 0.000 17700.0 REV / 6.717E+11 -0.078 7353.2 / IC8H18+C6H13OOC=IC8H17C+C6H13OOHC 2.000E+12 0.000 16000.0 REV / 1.317E+11 0.099 7491.5 / IC8H18+C6H13OOC=IC8H17D+C6H13OOHC 1.210E+13 0.000 20430.0 REV / 2.500E+13 -0.395 7535.4 / HO2+C6H13OOC=O2+C6H13OOHC 1.750E+10 0.000 -3275.0 REV / 7.595E+13 -0.791 37118.5 / H2O2+C6H13OOC=HO2+C6H13OOHC 2.400E+12 0.000 10000.0 REV / 3.914E+13 -0.335 9961.8 / C6H13OOC+NC7H15A=>C6H13OC+C7H15OA 7.000E+12 0.000 -1000.0 C6H13OOC+NC7H15B=>C6H13OC+C7H15OB 7.000E+12 0.000 -1000.0 C6H13OOC+NC7H15C=>C6H13OC+C7H15OC 7.000E+12 0.000 -1000.0 C6H13OOC+NC7H15D=>C6H13OC+C7H15OD 7.000E+12 0.000 -1000.0 C6H13OOC+IC8H17A=>C6H13OC+C8H17OA 7.000E+12 0.000 -1000.0 C6H13OOC+IC8H17B=>C6H13OC+C8H17OB 7.000E+12 0.000 -1000.0 C6H13OOC+IC8H17C=>C6H13OC+C8H17OC 7.000E+12 0.000 -1000.0 C6H13OOC+IC8H17D=>C6H13OC+C8H17OD 7.000E+12 0.000 -1000.0 C6H13OOC+CH3=>C6H13OC+CH3O 7.000E+12 0.000 -1000.0 C6H13OOC+CH3OO=>C6H13OC+CH3O+O2 1.400E+16 -1.610 1860.0 C6H13OC=C4H9CHOA+CH3 1.000E+11 0.000 11900.0 REV / 5.657E+00 2.286 1710.0 / C6H13OC=CH3CHO+NC4H9 1.000E+11 0.000 11900.0 REV / 1.837E-01 2.623 3245.8 / C6H12OOHA=>C6H12CYOA+OH 4.000E+13 0.000 14990.0 C6H12OOHA+O2=HOOC6H12OOA 1.000E+12 0.000 -1300.0 REV / 9.897E+21 -2.280 33831.6 / C6H12OOHB=>C5H10A+CH2O+OH 5.000E+13 0.000 29500.0 C6H12OOHB=>C6H12CYOB+OH 5.000E+12 0.000 25610.0 C6H12OOHB+O2=HOOC6H12OOB 1.000E+12 0.000 -1300.0 REV / 9.897E+21 -2.280 33831.6 / C6H12OOHC=>C6H12CYOC+OH 1.260E+12 0.000 17320.0 C6H12OOHC+O2=HOOC6H12OOC 1.000E+12 0.000 -1300.0 REV / 9.897E+21 -2.280 33831.6 / C6H13OOHA=OH+C6H13OA 4.241E+21 -1.903 46253.1 REV / 1.000E+13 0.000 0.0 / C5H11OOC=>C5H10B+HO2 6.000E+12 0.000 39390.0 C5H11OOC=>C5H10A+HO2 9.000E+12 0.000 40140.0 C5H11OOC=C5H10OOHE 1.600E+12 0.000 33610.0 REV / 1.915E+11 -0.031 23228.3 / C5H11OOC=C5H10OOHF 2.000E+11 0.000 22680.0 REV / 2.394E+10 -0.031 12298.3 / C5H11OOC=C5H10OOHG 3.750E+10 0.000 23880.0 REV / 7.118E+10 -0.384 10976.1 / C5H11OOC=C5H10OOHH 2.400E+12 0.000 37420.0 REV / 4.555E+12 -0.384 24516.1 / NC7H16+C5H11OOC=NC7H15A+C5H11OOHC 1.210E+13 0.000 20430.0 REV / 1.239E+13 -0.394 7534.7 / NC7H16+C5H11OOC=NC7H15B+C5H11OOHC 8.060E+12 0.000 17700.0 REV / 6.522E+11 -0.075 7348.1 / NC7H16+C5H11OOC=NC7H15C+C5H11OOHC 8.060E+12 0.000 17700.0 REV / 6.522E+11 -0.075 7348.1 / NC7H16+C5H11OOC=NC7H15D+C5H11OOHC 4.030E+12 0.000 17700.0 REV / 6.528E+11 -0.075 7348.1 / IC8H18+C5H11OOC=IC8H17A+C5H11OOHC 1.815E+13 0.000 20430.0 REV / 1.234E+13 -0.393 7534.3 / IC8H18+C5H11OOC=IC8H17B+C5H11OOHC 4.030E+12 0.000 17700.0 REV / 6.630E+11 -0.076 7352.0 / IC8H18+C5H11OOC=IC8H17C+C5H11OOHC 2.000E+12 0.000 16000.0 REV / 1.300E+11 0.101 7490.3 / IC8H18+C5H11OOC=IC8H17D+C5H11OOHC 1.210E+13 0.000 20430.0 REV / 2.467E+13 -0.393 7534.3 / HO2+C5H11OOC=O2+C5H11OOHC 1.750E+10 0.000 -3275.0 REV / 7.496E+13 -0.789 37117.4 / H2O2+C5H11OOC=HO2+C5H11OOHC 2.400E+12 0.000 10000.0 REV / 3.863E+13 -0.333 9960.7 / C5H11OOC+NC7H15A=>C5H11OC+C7H15OA 7.000E+12 0.000 -1000.0 C5H11OOC+NC7H15B=>C5H11OC+C7H15OB 7.000E+12 0.000 -1000.0 C5H11OOC+NC7H15C=>C5H11OC+C7H15OC 7.000E+12 0.000 -1000.0 C5H11OOC+NC7H15D=>C5H11OC+C7H15OD 7.000E+12 0.000 -1000.0 C5H11OOC+IC8H17A=>C5H11OC+C8H17OA 7.000E+12 0.000 -1000.0 C5H11OOC+IC8H17B=>C5H11OC+C8H17OB 7.000E+12 0.000 -1000.0 C5H11OOC+IC8H17C=>C5H11OC+C8H17OC 7.000E+12 0.000 -1000.0 C5H11OOC+IC8H17D=>C5H11OC+C8H17OD 7.000E+12 0.000 -1000.0 C5H11OOC+CH3=>C5H11OC+CH3O 7.000E+12 0.000 -1000.0 C5H11OOC+CH3OO=>C5H11OC+CH3O+O2 1.400E+16 -1.610 1860.0 C5H11OC=NC3H7CHO+CH3 1.000E+11 0.000 11900.0 REV / 4.150E+00 2.326 1659.3 / C5H11OC=CH3CHO+NC3H7 1.000E+11 0.000 11900.0 REV / 1.826E-01 2.623 3239.8 / C5H10OOHA=>C5H10CYOA+OH 4.000E+13 0.000 14990.0 C5H10OOHA+O2=HOOC5H10OOA 1.000E+12 0.000 -1300.0 REV / 8.202E+21 -2.254 33811.4 / C5H10OOHB=>N1C4H8+CH2O+OH 5.000E+13 0.000 29500.0 C5H10OOHB=>C5H10CYOB+OH 5.000E+12 0.000 25610.0 C5H10OOHB+O2=HOOC5H10OOB 1.000E+12 0.000 -1300.0 REV / 8.202E+21 -2.254 33811.4 / C5H10OOHC=>C5H10CYOC+OH 1.260E+12 0.000 17320.0 C5H10OOHC+O2=HOOC5H10OOC 1.000E+12 0.000 -1300.0 REV / 8.202E+21 -2.254 33811.4 / C5H11OOHA=OH+C5H11OA 4.271E+21 -1.904 46252.3 REV / 1.000E+13 0.000 0.0 / C3H6OOHAB=>C3H6CYOAB+OH 4.000E+13 0.000 14990.0 C3H6OOHAB+O2=HOOC3H6OOHAB 1.000E+12 0.000 -1300.0 REV / 4.910E+21 -2.172 33782.4 / C3H6OOHAC=>C2H4+CH2O+OH 5.000E+13 0.000 29500.0 C3H6OOHAC=>C3H6CYOAC+OH 1.580E+13 0.000 26120.0 C3H6OOHAC+O2=HOOC3H6OOHAC 1.000E+12 0.000 -830.0 REV / 3.553E+19 -1.632 32361.8 / NC3H7OOH=OH+NC3H7O 3.635E+21 -1.882 46228.7 REV / 1.000E+13 0.000 0.0 / C4H8OOHAB=>C4H8CYOAB+OH 4.000E+13 0.000 14990.0 C4H8OOHAB+O2=HOOC4H8OOAB 1.000E+12 0.000 -1300.0 REV / 6.094E+21 -2.213 33772.7 / C4H8OOHAC=>C3H6+CH2O+OH 5.000E+13 0.000 29500.0 C4H8OOHAC=>C4H8CYOAC+OH 5.000E+12 0.000 25610.0 C4H8OOHAC+O2=HOOC4H8OOAC 1.000E+12 0.000 -1300.0 REV / 6.094E+21 -2.213 33772.7 / C4H8OOHAD=>C4H8CYOAD+OH 1.000E+12 0.000 17420.0 C4H8OOHAD+O2=HOOC4H8OOAD 1.000E+12 0.000 -830.0 REV / 3.279E+19 -1.620 32355.1 / NC4H9OOH=OH+NC4H9O 4.387E+21 -1.909 46251.8 REV / 1.000E+13 0.000 0.0 / C7H13A+O2=>IC3H7CHO+CH3COCH2 4.570E+12 0.000 18800.0 C6H13D=C3H6+IC3H7 5.180E+20 -2.221 30344.9 REV / 8.500E+10 0.000 7800.0 / C6H13D+O2=C6H13OOD 1.000E+12 0.000 -1300.0 REV / 6.617E+21 -2.217 33804.0 / C6H13D+HO2=>C6H13OD+OH 7.000E+12 0.000 -1000.0 C6H13D+CH3OO=>C6H13OD+CH3O 7.000E+12 0.000 -1000.0 ! IC4H7A+O2=>CH2O+CH3COCH2 4.570E+12 0.000 18800.0 C8H16OOHA=>C7H14C+CH2O+OH 5.000E+13 0.000 29500.0 C8H16OOHA=>C8H16CYOA+OH 5.000E+12 0.000 25610.0 C8H16OOHA+O2=HOOC8H16OOA 1.000E+12 0.000 -1300.0 REV / 1.551E+22 -2.331 33935.5 / C8H16OOHB=>C8H16CYOB+OH 5.000E+11 0.000 17250.0 C8H16OOHB+O2=HOOC8H16OOB 1.000E+12 0.000 -1500.0 REV / 3.378E+22 -2.432 34167.7 / C8H16OOHC=>C7H14A+CH2O+OH 5.000E+13 0.000 29500.0 C8H16OOHC=>C8H16CYOC+OH 1.580E+13 0.000 26120.0 C8H16OOHC+O2=HOOC8H16OOC 1.000E+12 0.000 -830.0 REV / 4.504E+19 -1.663 32399.5 / C8H17OOHA=OH+C8H17OA 4.880E+21 -1.922 46269.0 REV / 1.000E+13 0.000 0.0 / C7H13B+O2=>C4H9CHOB+CH2CHO 4.570E+12 0.000 18800.0 CH3CHCHO=CH3CHCO+H 3.165E+14 -0.172 40228.5 REV / 1.000E+13 0.000 2900.0 / CH3CHCHO+O2=>CH3CHCO+HO2 1.500E+06 1.629 5570.0 CH3CHCHO+O2=>CO+CH3CHO+OH 4.900E+04 1.629 1570.0 C7H13C+O2=>CH3COCH3+IC3H6VCHO 4.570E+12 0.000 18800.0 IC3H6VCHO=IC2H6CCO+H 2.996E+14 -0.161 40599.2 REV / 1.000E+13 0.000 2900.0 / IC3H6VCHO+O2=>IC2H6CCO+HO2 1.500E+06 1.629 5570.0 IC3H6VCHO+O2=>CO+CH3COCH3+OH 4.900E+04 1.629 1570.0 C8H16A+H=C8H15A+H2 5.000E+12 0.000 1100.0 REV / 3.471E+11 0.278 17345.1 / C8H16A+OH=C8H15A+H2O 1.110E+13 0.000 2319.0 REV / 1.165E+13 0.119 34083.1 / C8H16A+CH3=C8H15A+CH4 1.400E+11 0.000 8800.0 REV / 4.699E+12 -0.078 26494.1 / C8H16A+O=>IC3H6VCHO+TC4H9 7.100E+12 0.000 630.0 C8H16OOHD=>IC4H8+IC3H7CHO+OH 5.000E+13 0.000 29500.0 C8H16OOHD=>C8H16CYOA+OH 1.580E+13 0.000 26120.0 C8H16OOHD+O2=HOOC8H16OOD 1.000E+12 0.000 -830.0 REV / 4.274E+19 -1.658 32386.1 / C8H16OOHE=>C8H16CYOD+OH 8.000E+13 0.000 14530.0 C8H16OOHE+O2=HOOC8H16OOE 1.000E+12 0.000 -1500.0 REV / 1.674E+22 -2.331 34089.9 / C8H16OOHF=>C3H6+C4H9CHOB+OH 5.000E+13 0.000 29500.0 C8H16OOHF=>C8H16CYOE+OH 1.580E+13 0.000 26120.0 C8H16OOHF+O2=HOOC8H16OOF 1.000E+12 0.000 -830.0 REV / 4.274E+19 -1.658 32386.1 / C8H17OOHB=OH+C8H17OB 5.763E+21 -1.945 46291.4 REV / 1.000E+13 0.000 0.0 / C4H9CHOB+H=C4H9COB+H2 1.260E+14 0.000 5600.0 REV / 6.705E+10 0.671 20028.5 / C4H9CHOB+OH=C4H9COB+H2O 5.730E+10 0.510 -1637.0 REV / 4.611E+08 1.022 28310.5 / C4H9CHOB+HO2=C4H9COB+H2O2 2.160E+12 0.000 12000.0 REV / 8.873E+11 -0.061 11256.7 / C4H9CHOB+CH3OO=C4H9COB+CH3OOH 2.000E+12 0.000 11600.0 REV / 5.922E+12 -0.376 8505.4 / C4H9CHOB=>HCO+TC4H9 6.750E+26 -2.936 82061.5 IC3H7CHO+H=IC3H7CO+H2 1.260E+14 0.000 5600.0 REV / 6.555E+10 0.674 20025.7 / IC3H7CHO+OH=IC3H7CO+H2O 5.730E+10 0.510 -1637.0 REV / 4.508E+08 1.025 28307.7 / IC3H7CHO+HO2=IC3H7CO+H2O2 2.160E+12 0.000 12000.0 REV / 8.675E+11 -0.058 11253.9 / IC3H7CHO+CH3OO=IC3H7CO+CH3OOH 2.000E+12 0.000 11600.0 REV / 5.790E+12 -0.373 8502.6 / IC3H7CHO+H=IC3H6VCHO+H2 1.260E+14 0.000 5800.0 REV / 1.181E+12 0.525 19362.3 / IC3H7CHO+OH=IC3H6VCHO+H2O 5.730E+10 0.510 -1437.0 REV / 8.118E+09 0.876 27644.2 / IC3H7CHO+HO2=IC3H6VCHO+H2O2 2.160E+12 0.000 12200.0 REV / 1.562E+13 -0.207 10590.4 / IC3H7CHO=>HCO+IC3H7 6.396E+24 -2.394 83880.1 C8H16B+H=C8H15A+H2 2.500E+12 0.000 900.0 REV / 9.957E+10 0.433 19026.5 / C8H16B+OH=C8H15A+H2O 5.500E+12 0.000 2100.0 REV / 3.312E+12 0.274 35745.5 / C8H16B+CH3=C8H15A+CH4 7.000E+10 0.000 8500.0 REV / 1.348E+12 0.076 28075.5 / C8H16B+O=>C7H15B+HCO 7.300E+12 0.000 1710.0 C8H16OOHG=>C8H16CYOD+OH 4.000E+13 0.000 14990.0 C8H16OOHG+O2=HOOC8H16OOG 1.000E+12 0.000 -1300.0 REV / 1.212E+22 -2.297 33904.5 / C8H16OOHH=>C8H16CYOB+OH 1.000E+12 0.000 17420.0 C8H16OOHH+O2=HOOC8H16OOH 1.000E+12 0.000 -830.0 REV / 4.283E+19 -1.657 32390.1 / C8H16OOHI=>C8H16CYOF+OH 1.000E+14 0.000 16540.0 C8H16OOHI+O2=HOOC8H16OOI 1.000E+12 0.000 -830.0 REV / 4.277E+19 -1.657 32390.1 / C8H17OOHC=OH+C8H17OC 4.783E+21 -1.920 46264.6 REV / 1.000E+13 0.000 0.0 / C6H14COA+H=C6H13VCOA+H2 2.800E+07 2.000 6200.0 REV / 9.964E+05 2.315 15351.7 / C6H14COA+OH=C6H13VCOA+H2O 5.250E+09 0.970 90.0 REV / 2.825E+09 1.127 24760.6 / C6H14COA+HO2=C6H13VCOA+H2O2 4.020E+12 0.000 17200.0 REV / 1.104E+14 -0.417 11179.8 / C6H14COA+H=C6H13VCOB+H2 9.100E+06 2.000 3500.0 REV / 1.576E+05 2.432 15248.6 / C6H14COA+OH=C6H13VCOB+H2O 4.680E+07 1.610 -1535.0 REV / 1.226E+07 1.883 25732.5 / C6H14COA+HO2=C6H13VCOB+H2O2 2.440E+12 0.000 14800.0 REV / 3.262E+13 -0.300 11376.7 / C6H14COA=>C5H11COB+CH3 6.286E+22 -1.898 85484.0 C6H14COA=>CH3CO+C5H11B 1.440E+24 -2.255 81170.3 CH3COCH3+H=CH3COCH2+H2 5.600E+07 2.000 6200.0 REV / 9.910E+05 2.316 15352.1 / CH3COCH3+OH=CH3COCH2+H2O 1.050E+10 0.970 90.0 REV / 2.810E+09 1.127 24761.0 / CH3COCH3+HO2=CH3COCH2+H2O2 8.040E+12 0.000 17200.0 REV / 1.098E+14 -0.416 11180.2 / ! CH3COCH3=>CH3CO+CH3 2.308E+23 -1.921 82383.8 CH3COCH3=CH3CO+CH3 2.308E+23 -1.921 82383.8 C6H13E=C2H4+TC4H9 6.965E+22 -2.889 29528.2 REV / 8.500E+10 0.000 7800.0 / C6H13E=C6H13F 1.143E+10 0.350 20740.0 REV / 3.812E+09 0.350 20740.0 / C6H13E+O2=C6H13OOE 1.000E+12 0.000 -830.0 REV / 6.799E+19 -1.720 32455.7 / C6H13E+HO2=>C6H13OE+OH 7.000E+12 0.000 -1000.0 C6H13E+CH3OO=>C6H13OE+CH3O 7.000E+12 0.000 -1000.0 C8H16OOHJ=>C8H16CYOF+OH 8.000E+13 0.000 14530.0 C8H16OOHJ+O2=HOOC8H16OOJ 1.000E+12 0.000 -1500.0 REV / 6.754E+22 -2.432 34167.7 / C8H16OOHK=>C7H14B+CH2O+OH 5.000E+13 0.000 29500.0 C8H16OOHK=>C8H16CYOE+OH 5.000E+12 0.000 25610.0 C8H16OOHK+O2=HOOC8H16OOK 1.000E+12 0.000 -1300.0 REV / 1.553E+22 -2.331 33935.5 / C8H16OOHL=>C7H14D+CH2O+OH 5.000E+13 0.000 29500.0 C8H16OOHL=>C8H16CYOG+OH 1.580E+13 0.000 26120.0 C8H16OOHL+O2=HOOC8H16OOL 1.000E+12 0.000 -830.0 REV / 4.509E+19 -1.663 32399.5 / C8H17OOHD=OH+C8H17OD 4.880E+21 -1.922 46269.0 REV / 1.000E+13 0.000 0.0 / C7H15B=C3H6+TC4H9 2.733E+22 -2.670 29112.8 REV / 8.500E+10 0.000 7800.0 / C7H15B+O2=C7H15OOF 1.000E+12 0.000 -1300.0 REV / 1.663E+22 -2.342 33943.2 / C7H15B+HO2=>C7H15OF+OH 7.000E+12 0.000 -1000.0 C7H15B+CH3OO=>C7H15OF+CH3O 7.000E+12 0.000 -1000.0 C7H14OOHP=>C7H14CYOI+OH 4.000E+13 0.000 14990.0 C7H14OOHP+O2=HOOC7H14OOP 1.000E+12 0.000 -1300.0 REV / 8.440E+21 -2.247 33855.9 / C7H14OOHQ=>IC4H8+CH3COCH3+OH 5.000E+13 0.000 29500.0 C7H14OOHQ=>C7H14CYOJ+OH 3.200E+12 0.000 23930.0 C7H14OOHQ+O2=HOOC7H14OOQ 1.000E+12 0.000 -1500.0 REV / 2.814E+22 -2.407 34137.8 / C7H14OOHR=>C7H14CYOK+OH 1.000E+12 0.000 17420.0 C7H14OOHR+O2=HOOC7H14OOR 1.000E+12 0.000 -830.0 REV / 4.123E+19 -1.652 32382.8 / C7H14OOHS=>C7H14CYOL+OH 1.000E+14 0.000 16540.0 C7H14OOHS+O2=HOOC7H14OOS 1.000E+12 0.000 -830.0 REV / 4.123E+19 -1.652 32382.8 / C7H15OOHE=OH+C7H15OE 4.245E+21 -1.904 46250.0 REV / 1.000E+13 0.000 0.0 / C5H12COA+H=C5H11VCOA+H2 2.800E+07 2.000 6200.0 REV / 9.990E+05 2.315 15354.1 / C5H12COA+OH=C5H11VCOA+H2O 5.250E+09 0.970 90.0 REV / 2.832E+09 1.126 24763.0 / C5H12COA+HO2=C5H11VCOA+H2O2 4.020E+12 0.000 17200.0 REV / 1.107E+14 -0.417 11182.3 / C5H12COA+H=C5H11VCOB+H2 9.100E+06 2.000 3500.0 REV / 1.535E+05 2.436 15246.0 / C5H12COA+OH=C5H11VCOB+H2O 4.680E+07 1.610 -1535.0 REV / 1.193E+07 1.887 25729.9 / C5H12COA+HO2=C5H11VCOB+H2O2 2.440E+12 0.000 14800.0 REV / 3.176E+13 -0.296 11374.1 / C5H12COA=>C4H9COC+CH3 6.757E+22 -1.907 85495.3 C5H12COA=>CH3CO+IC4H9 8.865E+23 -2.191 81094.1 C4H8OOHTI=>C4H8CYOIT+OH 1.000E+14 0.000 16540.0 C4H8OOHTI+O2=HOOC4H8OOTI 1.000E+12 0.000 -830.0 REV / 3.610E+19 -1.634 32365.2 / TC4H9OOH=OH+TC4H9O 3.779E+21 -1.888 46233.4 REV / 1.000E+13 0.000 0.0 / C4H8OOHIT=>C4H8CYOIT+OH 8.000E+13 0.000 14530.0 C4H8OOHIT+O2=HOOC4H8OOIT 1.000E+12 0.000 -1500.0 REV / 2.212E+22 -2.371 34116.3 / C4H8OOHII=>C3H6+CH2O+OH 5.000E+13 0.000 29500.0 C4H8OOHII=>C4H8CYOII+OH 1.580E+13 0.000 26120.0 C4H8OOHII+O2=HOOC4H8OOII 1.000E+12 0.000 -830.0 REV / 3.609E+19 -1.634 32363.9 / IC4H9OOH=OH+IC4H9O 4.225E+21 -1.903 46248.3 REV / 1.000E+13 0.000 0.0 / C5H10OOHD=>IC4H8+CH2O+OH 5.000E+13 0.000 29500.0 C5H10OOHD=>C5H10CYOD+OH 1.580E+13 0.000 26120.0 C5H10OOHD+O2=HOOC5H10OOD 1.000E+12 0.000 -830.0 REV / 4.084E+19 -1.651 32381.6 / C5H11OOHB=OH+C5H11OB 4.852E+21 -1.922 46271.1 REV / 1.000E+13 0.000 0.0 / C3H6OOHBA=>C3H6CYOAB+OH 1.000E+14 0.000 16540.0 C3H6OOHBA+O2=HOOC3H6OOHBA 1.000E+12 0.000 -830.0 REV / 3.408E+19 -1.625 32361.7 / IC3H7OOH=OH+IC3H7O 2.766E+21 -1.846 46186.9 REV / 1.000E+13 0.000 0.0 / C7H13D+O2=>C4H9CHOA+CH2CHO 4.570E+12 0.000 18800.0 C7H14CYOA+OH=H2O+C5H12CCOA+H 4.680E+07 1.610 -1281.0 REV / 2.871E+02 2.582 10476.6 / C7H14CYOA+HO2=H2O2+C5H12CCOA+H 2.440E+12 0.000 15087.0 REV / 7.642E+08 0.399 -3846.2 / C7H14CYOA+OH=H2O+CH2CO+C5H11A 5.730E+10 0.510 -1137.0 REV / 1.664E-03 3.444 21243.1 / C7H14CYOA+HO2=H2O2+CH2CO+C5H11A 2.160E+12 0.000 12500.0 REV / 3.202E+00 2.360 4189.4 / !******************************************************************************* ! HOOC7H14OOA=>CHOC6H12OOHA+OH 2.000E+11 0.000 26400.0 HOOC7H14OOA=>CHOC6H12OOHA+OH 2.000E+11 0.000 27400.0 !******************************************************************************* C7H14CYOB+OH=H2O+C6H12A+HCO 4.680E+07 1.610 -1281.0 REV / 2.993E-07 4.515 20126.7 / C7H14CYOB+HO2=H2O2+C6H12A+HCO 2.440E+12 0.000 15087.0 REV / 7.965E-01 2.331 5803.9 / C7H14CYOB+OH=H2O+C2H4+C4H9COA 5.730E+10 0.510 -1137.0 REV / 1.311E-04 3.641 25468.3 / C7H14CYOB+HO2=H2O2+C2H4+C4H9COA 2.160E+12 0.000 12500.0 REV / 2.523E-01 2.558 8414.5 / !******************************************************************************* ! HOOC7H14OOB=>CHOC6H12OOHB+OH 2.500E+10 0.000 21400.0 HOOC7H14OOB=>CHOC6H12OOHB+OH 2.500E+10 0.000 22400.0 !******************************************************************************* C7H14CYOC+OH=H2O+C5H10A+CH2CHO 4.680E+07 1.610 -1281.0 REV / 1.342E-08 4.706 -774.9 / C7H14CYOC+HO2=H2O2+C5H10A+CH2CHO 2.440E+12 0.000 15087.0 REV / 3.572E-02 2.523 -15097.7 / C7H14CYOC+OH=H2O+C2H4+C4H9VCOA 5.730E+10 0.510 -1137.0 REV / 3.559E-03 3.317 7447.4 / C7H14CYOC+HO2=H2O2+C2H4+C4H9VCOA 2.160E+12 0.000 12500.0 REV / 6.849E+00 2.233 -9606.4 / !******************************************************************************* ! HOOC7H14OOC=>CHOC6H12OOHC+OH 3.120E+09 0.000 19350.0 HOOC7H14OOC=>CHOC6H12OOHC+OH 3.120E+09 0.000 20350.0 !******************************************************************************* C7H13E+O2=>NC3H7CHO+CH3CHCHO 4.570E+12 0.000 18800.0 C5H10VCHOA=C4H10CCOA+H 2.696E+14 -0.123 40363.2 REV / 1.000E+13 0.000 2900.0 / C5H10VCHOA+O2=>C4H10CCOA+HO2 1.500E+06 1.629 5570.0 C5H10VCHOA+O2=>CO+C4H9CHOA+OH 4.900E+04 1.629 1570.0 C7H14CYOD+OH=H2O+C4H10CCOA+CH3 5.730E+10 0.510 -1137.0 REV / 1.000E-02 3.184 17504.7 / C7H14CYOD+HO2=H2O2+C4H10CCOA+CH3 2.160E+12 0.000 12500.0 REV / 1.925E+01 2.101 450.9 / C7H14CYOD+OH=H2O+CH3CHCO+NC4H9 5.730E+10 0.510 -1137.0 REV / 1.829E-04 3.589 19115.0 / C7H14CYOD+HO2=H2O2+CH3CHCO+NC4H9 2.160E+12 0.000 12500.0 REV / 3.520E-01 2.506 2061.2 / !******************************************************************************* ! HOOC7H14OOD=>COC6H13OOHA+OH 1.000E+11 0.000 23850.0 HOOC7H14OOD=>COC6H13OOHA+OH 1.000E+11 0.000 24850.0 !******************************************************************************* C7H14CYOE+OH=H2O+C5H10A+CH3CO 5.730E+10 0.510 -1137.0 REV / 6.124E-06 3.885 26766.7 / C7H14CYOE+HO2=H2O2+C5H10A+CH3CO 2.160E+12 0.000 12500.0 REV / 1.178E-02 2.802 9712.9 / C7H14CYOE+OH=H2O+C3H6+NC3H7CO 5.730E+10 0.510 -1137.0 REV / 4.119E-06 3.894 24081.9 / C7H14CYOE+HO2=H2O2+C3H6+NC3H7CO 2.160E+12 0.000 12500.0 REV / 7.926E-03 2.811 7028.1 / !******************************************************************************* ! HOOC7H14OOE=>COC6H13OOHB+OH 1.250E+10 0.000 17850.0 HOOC7H14OOE=>COC6H13OOHB+OH 1.250E+10 0.000 18850.0 !******************************************************************************* C7H14CYOF+OH=H2O+N1C4H8+CH3COCH2 5.730E+10 0.510 -1137.0 REV / 1.082E-04 3.581 5589.1 / C7H14CYOF+HO2=H2O2+N1C4H8+CH3COCH2 2.160E+12 0.000 12500.0 REV / 2.082E-01 2.498 -11464.7 / C7H14CYOF+OH=H2O+C3H6+C2H5COCH2 5.730E+10 0.510 -1137.0 REV / 6.385E-05 3.643 5969.9 / C7H14CYOF+HO2=H2O2+C3H6+C2H5COCH2 2.160E+12 0.000 12500.0 REV / 1.229E-01 2.560 -11083.9 / !******************************************************************************* ! HOOC7H14OOF=>COC6H13OOHC+OH 1.560E+09 0.000 16050.0 HOOC7H14OOF=>COC6H13OOHC+OH 1.560E+09 0.000 17050.0 ! HOOC7H14OOG=>COC6H13OOHD+OH 1.000E+11 0.000 23850.0 HOOC7H14OOG=>COC6H13OOHD+OH 1.000E+11 0.000 24850.0 !******************************************************************************* C5H11COA=>C5H11A+CO 1.076E+19 -1.814 15286.7 C4H8VCHOA=C3H8CCOA+H 2.528E+14 -0.117 40341.1 REV / 1.000E+13 0.000 2900.0 / C4H8VCHOA+O2=>C3H8CCOA+HO2 1.500E+06 1.629 5570.0 C4H8VCHOA+O2=>CO+NC3H7CHO+OH 4.900E+04 1.629 1570.0 C7H14CYOG+OH=H2O+C3H8CCOA+C2H5 5.730E+10 0.510 -1137.0 REV / 4.666E-05 3.766 19522.8 / C7H14CYOG+HO2=H2O2+C3H8CCOA+C2H5 2.160E+12 0.000 12500.0 REV / 8.978E-02 2.683 2469.0 / C7H14CYOG+OH=H2O+C2H5CHCO+NC3H7 5.730E+10 0.510 -1137.0 REV / 2.551E-04 3.521 19025.3 / C7H14CYOG+HO2=H2O2+C2H5CHCO+NC3H7 2.160E+12 0.000 12500.0 REV / 4.908E-01 2.438 1971.5 / !******************************************************************************* ! HOOC7H14OOH=>COC6H13OOHE+OH 1.000E+11 0.000 23850.0 ! HOOC7H14OOH=>COC6H13OOHE+OH 1.000E+11 0.000 24850.0 !******************************************************************************* C7H14CYOH+OH=H2O+N1C4H8+C2H5CO 1.146E+11 0.510 -1137.0 REV / 1.020E-05 3.841 23974.6 / C7H14CYOH+HO2=H2O2+N1C4H8+C2H5CO 4.320E+12 0.000 12500.0 REV / 1.962E-02 2.758 6920.8 / !******************************************************************************* ! HOOC7H14OOI=>COC6H13OOHF+OH 1.250E+10 0.000 17850.0 ! HOOC7H14OOJ=>COC6H13OOHG+OH 1.560E+09 0.000 16050.0 ! HOOC7H14OOK=>COC6H13OOHH+OH 1.000E+11 0.000 23850.0 ! HOOC7H14OOL=>COC6H13OOHI+OH 1.250E+10 0.000 17850.0 HOOC7H14OOI=>COC6H13OOHF+OH 1.250E+10 0.000 18850.0 HOOC7H14OOJ=>COC6H13OOHG+OH 1.560E+09 0.000 17050.0 HOOC7H14OOK=>COC6H13OOHH+OH 1.000E+11 0.000 24850.0 HOOC7H14OOL=>COC6H13OOHI+OH 1.250E+10 0.000 18850.0 !******************************************************************************* C4H9COA=>NC4H9+CO 8.703E+18 -1.785 15254.7 C2H5CO=>C2H5+CO 4.642E+19 -2.029 14747.8 !******************************************************************************* ! HOOC7H14OOM=>COC6H13OOHJ+OH 1.560E+09 0.000 16050.0 ! HOOC7H14OON=>COC6H13OOHK+OH 1.250E+10 0.000 17850.0 ! HOOC7H14OOO=>COC6H13OOHL+OH 1.000E+11 0.000 23850.0 HOOC7H14OOM=>COC6H13OOHJ+OH 1.560E+09 0.000 17050.0 HOOC7H14OON=>COC6H13OOHK+OH 1.250E+10 0.000 18850.0 HOOC7H14OOO=>COC6H13OOHL+OH 1.000E+11 0.000 24850.0 !******************************************************************************* NC3H7CO=>NC3H7+CO 7.941E+18 -1.773 15242.7 C3H6VCHO=C2H5CHCO+H 2.521E+14 -0.118 40334.3 REV / 1.000E+13 0.000 2900.0 / C3H6VCHO+O2=>C2H5CHCO+HO2 1.500E+06 1.629 5570.0 C3H6VCHO+O2=>CO+C2H5CHO+OH 4.900E+04 1.629 1570.0 C6H12B+H=C6H11B+H2 2.500E+12 0.000 900.0 REV / 3.711E+10 0.496 19122.6 / C6H12B+OH=C6H11B+H2O 5.500E+12 0.000 2100.0 REV / 1.235E+12 0.337 35841.5 / C6H12B+CH3=C6H11B+CH4 7.000E+10 0.000 8500.0 REV / 5.025E+11 0.140 28171.6 / C6H12B+O=>C3H6VCHO+C2H5 7.100E+12 0.000 630.0 C6H12C+H=C6H11B+H2 2.500E+12 0.000 900.0 REV / 9.784E+10 0.435 19023.1 / C6H12C+OH=C6H11B+H2O 5.500E+12 0.000 2100.0 REV / 3.255E+12 0.276 35742.1 / C6H12C+CH3=C6H11B+CH4 7.000E+10 0.000 8500.0 REV / 1.325E+12 0.078 28072.1 / C6H12C+O=>C4H8VCHOA+CH3 7.100E+12 0.000 630.0 C6H12OOHD=>C6H12CYOD+OH 4.000E+13 0.000 14990.0 C6H12OOHD+O2=HOOC6H12OOD 1.000E+12 0.000 -1300.0 REV / 8.761E+21 -2.273 33778.5 / C6H12OOHE=>C3H6+C2H5CHO+OH 5.000E+13 0.000 29500.0 C6H12OOHE=>C6H12CYOE+OH 5.000E+12 0.000 25610.0 C6H12OOHE+O2=HOOC6H12OOE 1.000E+12 0.000 -1300.0 REV / 8.761E+21 -2.273 33778.5 / C6H12OOHF=>C6H12CYOC+OH 1.000E+12 0.000 17420.0 C6H12OOHF+O2=HOOC6H12OOF 1.000E+12 0.000 -830.0 REV / 3.779E+19 -1.648 32340.1 / C6H12OOHG=>C6H12CYOF+OH 4.000E+13 0.000 14990.0 C6H12OOHG+O2=HOOC6H12OOG 1.000E+12 0.000 -1300.0 REV / 8.761E+21 -2.273 33778.5 / C6H12OOHH=>C2H4+NC3H7CHO+OH 5.000E+13 0.000 29500.0 C6H12OOHH=>C6H12CYOB+OH 1.580E+13 0.000 26120.0 C6H12OOHH+O2=HOOC6H12OOH 1.000E+12 0.000 -830.0 REV / 3.779E+19 -1.648 32340.1 / C6H13OOHB=OH+C6H13OB 6.849E+21 -1.970 46309.5 REV / 1.000E+13 0.000 0.0 / C6H12OOHI=>C6H12CYOF+OH 4.000E+13 0.000 14990.0 C6H12OOHI+O2=HOOC6H12OOI 1.000E+12 0.000 -1300.0 REV / 8.761E+21 -2.273 33778.5 / C6H12OOHJ=>N1C4H8+CH3CHO+OH 5.000E+13 0.000 29500.0 C6H12OOHJ=>C6H12CYOE+OH 5.000E+12 0.000 25610.0 C6H12OOHJ+O2=HOOC6H12OOJ 1.000E+12 0.000 -1300.0 REV / 8.761E+21 -2.273 33778.5 / C6H12OOHK=>C6H12CYOG+OH 1.260E+12 0.000 17320.0 C6H12OOHK+O2=HOOC6H12OOK 1.000E+12 0.000 -1300.0 REV / 8.761E+21 -2.273 33778.5 / C6H12OOHL=>C6H12CYOA+OH 1.000E+14 0.000 16540.0 C6H12OOHL+O2=HOOC6H12OOL 1.000E+12 0.000 -830.0 REV / 3.779E+19 -1.648 32340.1 / C6H13OOHC=OH+C6H13OC 6.849E+21 -1.970 46309.5 REV / 1.000E+13 0.000 0.0 / C6H12CYOA+OH=H2O+C4H10CCOA+H 4.680E+07 1.610 -1281.0 REV / 2.553E+02 2.598 10459.2 / C6H12CYOA+HO2=H2O2+C4H10CCOA+H 2.440E+12 0.000 15087.0 REV / 6.796E+08 0.415 -3863.6 / C6H12CYOA+OH=H2O+CH2CO+NC4H9 5.730E+10 0.510 -1137.0 REV / 1.665E-03 3.445 21248.4 / C6H12CYOA+HO2=H2O2+CH2CO+NC4H9 2.160E+12 0.000 12500.0 REV / 3.203E+00 2.362 4194.6 / HOOC6H12OOA=>CHOC5H10OOHA+OH 2.000E+11 0.000 26400.0 C6H12CYOB+OH=H2O+C5H10A+HCO 4.680E+07 1.610 -1281.0 REV / 3.108E-07 4.510 20134.3 / C6H12CYOB+HO2=H2O2+C5H10A+HCO 2.440E+12 0.000 15087.0 REV / 8.272E-01 2.327 5811.5 / C6H12CYOB+OH=H2O+C2H4+NC3H7CO 5.730E+10 0.510 -1137.0 REV / 1.222E-04 3.650 25459.1 / C6H12CYOB+HO2=H2O2+C2H4+NC3H7CO 2.160E+12 0.000 12500.0 REV / 2.351E-01 2.567 8405.3 / HOOC6H12OOB=>CHOC5H10OOHB+OH 2.500E+10 0.000 21400.0 C6H12CYOC+OH=H2O+N1C4H8+CH2CHO 4.680E+07 1.610 -1281.0 REV / 1.540E-08 4.688 -754.8 / C6H12CYOC+HO2=H2O2+N1C4H8+CH2CHO 2.440E+12 0.000 15087.0 REV / 4.098E-02 2.505 -15077.5 / C6H12CYOC+OH=H2O+C2H4+C2H5COCH2 5.730E+10 0.510 -1137.0 REV / 3.406E-03 3.322 7439.5 / C6H12CYOC+HO2=H2O2+C2H4+C2H5COCH2 2.160E+12 0.000 12500.0 REV / 6.553E+00 2.239 -9614.3 / HOOC6H12OOC=>CHOC5H10OOHC+OH 3.120E+09 0.000 19350.0 C5H10B+H=C5H9B+H2 2.500E+12 0.000 900.0 REV / 9.530E+10 0.438 19019.2 / C5H10B+OH=C5H9B+H2O 5.500E+12 0.000 2100.0 REV / 3.170E+12 0.280 35738.1 / C5H10B+CH3=C5H9B+CH4 7.000E+10 0.000 8500.0 REV / 1.290E+12 0.082 28068.2 / C5H10B+O=>C3H6VCHO+CH3 7.100E+12 0.000 630.0 C5H10OOHE=>C5H10CYOE+OH 4.000E+13 0.000 14990.0 C5H10OOHE+O2=HOOC5H10OOE 1.000E+12 0.000 -1300.0 REV / 6.467E+21 -2.231 33734.6 / C5H10OOHF=>C3H6+CH3CHO+OH 5.000E+13 0.000 29500.0 C5H10OOHF=>C5H10CYOF+OH 5.000E+12 0.000 25610.0 C5H10OOHF+O2=HOOC5H10OOF 1.000E+12 0.000 -1300.0 REV / 6.467E+21 -2.231 33734.6 / C5H10OOHG=>C5H10CYOC+OH 1.000E+12 0.000 17420.0 C5H10OOHG+O2=HOOC5H10OOG 1.000E+12 0.000 -830.0 REV / 3.356E+19 -1.632 32324.3 / C5H10OOHH=>C5H10CYOA+OH 1.000E+14 0.000 16540.0 C5H10OOHH+O2=HOOC5H10OOH 1.000E+12 0.000 -830.0 REV / 3.356E+19 -1.632 32324.3 / C5H11OOHC=OH+C5H11OC 5.432E+21 -1.939 46272.8 REV / 1.000E+13 0.000 0.0 / C5H10CYOA+OH=H2O+C3H8CCOA+H 4.680E+07 1.610 -1281.0 REV / 2.098E+02 2.631 10458.6 / C5H10CYOA+HO2=H2O2+C3H8CCOA+H 2.440E+12 0.000 15087.0 REV / 5.584E+08 0.448 -3864.2 / C5H10CYOA+OH=H2O+CH2CO+NC3H7 5.730E+10 0.510 -1137.0 REV / 1.525E-03 3.460 21250.2 / C5H10CYOA+HO2=H2O2+CH2CO+NC3H7 2.160E+12 0.000 12500.0 REV / 2.935E+00 2.377 4196.4 / HOOC5H10OOA=>CHOC4H8OOHA+OH 2.000E+11 0.000 26400.0 C5H10CYOB+OH=H2O+N1C4H8+HCO 4.680E+07 1.610 -1281.0 REV / 3.343E-07 4.500 20145.6 / C5H10CYOB+HO2=H2O2+N1C4H8+HCO 2.440E+12 0.000 15087.0 REV / 8.898E-01 2.317 5822.8 / C5H10CYOB+OH=H2O+C2H4+C2H5CO 5.730E+10 0.510 -1137.0 REV / 1.247E-04 3.647 25460.7 / C5H10CYOB+HO2=H2O2+C2H4+C2H5CO 2.160E+12 0.000 12500.0 REV / 2.399E-01 2.564 8406.9 / HOOC5H10OOB=>CHOC4H8OOHB+OH 2.500E+10 0.000 21400.0 C5H10CYOC+OH=H2O+C3H6+CH2CHO 4.680E+07 1.610 -1281.0 REV / 1.355E-08 4.729 -636.6 / C5H10CYOC+HO2=H2O2+C3H6+CH2CHO 2.440E+12 0.000 15087.0 REV / 3.605E-02 2.545 -14959.4 / C5H10CYOC+OH=H2O+C2H4+CH3COCH2 5.730E+10 0.510 -1137.0 REV / 5.075E-03 3.302 7176.9 / C5H10CYOC+HO2=H2O2+C2H4+CH3COCH2 2.160E+12 0.000 12500.0 REV / 9.766E+00 2.218 -9876.9 / HOOC5H10OOC=>CHOC4H8OOHC+OH 3.120E+09 0.000 19350.0 C3H6CYOAB+OH=H2O+CH3CHCO+H 4.680E+07 1.610 -1281.0 REV / 4.956E+02 2.533 10696.9 / C3H6CYOAB+HO2=H2O2+CH3CHCO+H 2.440E+12 0.000 15087.0 REV / 1.319E+09 0.350 -3625.9 / C3H6CYOAB+OH=H2O+CH2CO+CH3 5.730E+10 0.510 -1137.0 REV / 1.767E-01 2.975 19875.9 / C3H6CYOAB+HO2=H2O2+CH2CO+CH3 2.160E+12 0.000 12500.0 REV / 3.400E+02 1.892 2822.1 / HOOC3H6OOHAB=>CHOC2H4OOHB+OH 2.000E+11 0.000 26400.0 C3H6CYOAC+OH=H2O+C2H4+HCO 9.360E+07 1.610 -1281.0 REV / 7.100E-05 4.112 21857.3 / C3H6CYOAC+HO2=H2O2+C2H4+HCO 4.880E+12 0.000 15087.0 REV / 1.890E+02 1.928 7534.5 / HOOC3H6OOHAC=>CHOC2H4OOHC+OH 2.500E+10 0.000 21400.0 C4H8CYOAB+OH=H2O+C2H5CHCO+H 4.680E+07 1.610 -1281.0 REV / 6.119E+02 2.481 10587.7 / C4H8CYOAB+HO2=H2O2+C2H5CHCO+H 2.440E+12 0.000 15087.0 REV / 1.629E+09 0.297 -3735.1 / C4H8CYOAB+OH=H2O+CH2CO+C2H5 5.730E+10 0.510 -1137.0 REV / 8.136E-04 3.555 21876.7 / C4H8CYOAB+HO2=H2O2+CH2CO+C2H5 2.160E+12 0.000 12500.0 REV / 1.566E+00 2.472 4822.9 / HOOC4H8OOAB=>CHOC3H6OOHAB+OH 2.000E+11 0.000 26400.0 C4H8CYOAC+OH=H2O+C3H6+HCO 4.680E+07 1.610 -1281.0 REV / 5.648E-07 4.455 20364.6 / C4H8CYOAC+HO2=H2O2+C3H6+HCO 2.440E+12 0.000 15087.0 REV / 1.503E+00 2.272 6041.8 / C4H8CYOAC+OH=H2O+C2H4+CH3CO 5.730E+10 0.510 -1137.0 REV / 3.301E-04 3.586 28374.2 / C4H8CYOAC+HO2=H2O2+C2H4+CH3CO 2.160E+12 0.000 12500.0 REV / 6.351E-01 2.503 11320.4 / HOOC4H8OOAC=>CHOC3H6OOHAC+OH 2.500E+10 0.000 21400.0 C4H8CYOAD+OH=H2O+C2H4+CH2CHO 9.360E+07 1.610 -1281.0 REV / 1.825E-06 4.376 866.0 / C4H8CYOAD+HO2=H2O2+C2H4+CH2CHO 4.880E+12 0.000 15087.0 REV / 4.858E+00 2.193 -13456.8 / HOOC4H8OOAD=>CHOC3H6OOHAD+OH 3.120E+09 0.000 19350.0 CH3COCH2=CH2CO+CH3 3.737E+19 -1.787 43562.5 REV / 8.500E+10 0.000 10600.0 / CH3COCH2+O2=>CH2CO+CH2O+OH 6.100E+03 1.629 -4430.0 C6H13OOD=>C6H12D+HO2 6.000E+12 0.000 51870.0 C6H13OOD=>C6H12E+HO2 9.000E+12 0.000 52620.0 C6H13OOD=C6H12OOHM 1.600E+12 0.000 33610.0 REV / 1.585E+11 -0.006 23196.4 / C6H13OOD=C6H12OOHN 1.000E+11 0.000 20410.0 REV / 7.512E+09 0.075 11893.8 / C6H13OOD=C6H12OOHO 7.500E+10 0.000 23880.0 REV / 1.455E+11 -0.387 10976.6 / C6H13OOD=C6H12OOHP 2.400E+12 0.000 37420.0 REV / 4.656E+12 -0.387 24516.6 / NC7H16+C6H13OOD=NC7H15A+C6H13OOHD 1.210E+13 0.000 20430.0 REV / 1.245E+13 -0.395 7534.0 / NC7H16+C6H13OOD=NC7H15B+C6H13OOHD 8.060E+12 0.000 17700.0 REV / 6.552E+11 -0.076 7347.5 / NC7H16+C6H13OOD=NC7H15C+C6H13OOHD 8.060E+12 0.000 17700.0 REV / 6.552E+11 -0.076 7347.5 / NC7H16+C6H13OOD=NC7H15D+C6H13OOHD 4.030E+12 0.000 17700.0 REV / 6.558E+11 -0.076 7347.5 / IC8H18+C6H13OOD=IC8H17A+C6H13OOHD 1.815E+13 0.000 20430.0 REV / 1.240E+13 -0.394 7533.6 / IC8H18+C6H13OOD=IC8H17B+C6H13OOHD 4.030E+12 0.000 17700.0 REV / 6.660E+11 -0.077 7351.4 / IC8H18+C6H13OOD=IC8H17C+C6H13OOHD 2.000E+12 0.000 16000.0 REV / 1.306E+11 0.100 7489.7 / IC8H18+C6H13OOD=IC8H17D+C6H13OOHD 1.210E+13 0.000 20430.0 REV / 2.479E+13 -0.394 7533.6 / HO2+C6H13OOD=O2+C6H13OOHD 1.750E+10 0.000 -3275.0 REV / 7.531E+13 -0.790 37116.7 / H2O2+C6H13OOD=HO2+C6H13OOHD 2.400E+12 0.000 10000.0 REV / 3.881E+13 -0.334 9960.0 / C6H13OOD+NC7H15A=>C6H13OD+C7H15OA 7.000E+12 0.000 -1000.0 C6H13OOD+NC7H15B=>C6H13OD+C7H15OB 7.000E+12 0.000 -1000.0 C6H13OOD+NC7H15C=>C6H13OD+C7H15OC 7.000E+12 0.000 -1000.0 C6H13OOD+NC7H15D=>C6H13OD+C7H15OD 7.000E+12 0.000 -1000.0 C6H13OOD+IC8H17A=>C6H13OD+C8H17OA 7.000E+12 0.000 -1000.0 C6H13OOD+IC8H17B=>C6H13OD+C8H17OB 7.000E+12 0.000 -1000.0 C6H13OOD+IC8H17C=>C6H13OD+C8H17OC 7.000E+12 0.000 -1000.0 C6H13OOD+IC8H17D=>C6H13OD+C8H17OD 7.000E+12 0.000 -1000.0 C6H13OOD+CH3=>C6H13OD+CH3O 7.000E+12 0.000 -1000.0 C6H13OOD+CH3OO=>C6H13OD+CH3O+O2 1.400E+16 -1.610 1860.0 C6H13OD=C4H9CHOC+CH3 1.000E+11 0.000 11900.0 REV / 3.100E+00 2.366 1616.4 / C6H13OD=CH3CHO+IC4H9 1.000E+11 0.000 11900.0 REV / 1.798E-01 2.626 3243.7 / C8H16CYOA+OH=H2O+C7H14C+HCO 4.680E+07 1.610 -1281.0 REV / 1.958E-09 4.973 21084.3 / C8H16CYOA+HO2=H2O2+C7H14C+HCO 2.440E+12 0.000 15087.0 REV / 5.212E-03 2.790 6761.5 / C8H16CYOA+OH=H2O+IC4H8+IC3H7CO 5.730E+10 0.510 -1137.0 REV / 8.287E-07 4.012 26412.5 / C8H16CYOA+HO2=H2O2+IC4H8+IC3H7CO 2.160E+12 0.000 12500.0 REV / 1.595E-03 2.929 9358.7 / !******************************************************************************* ! HOOC8H16OOA=>CHOC7H14OOHA+OH 2.500E+10 0.000 21400.0 HOOC8H16OOA=>CHOC7H14OOHA+OH 2.500E+10 0.000 22400.0 !******************************************************************************* C8H16CYOB+OH=H2O+IC4H8+IC3H6VCHO 4.680E+07 1.610 -1281.0 REV / 9.595E-10 5.053 2634.3 / C8H16CYOB+HO2=H2O2+IC4H8+IC3H6VCHO 2.440E+12 0.000 15087.0 REV / 2.554E-03 2.870 -11688.5 / !******************************************************************************* ! HOOC8H16OOB=>CHOC7H14OOHB+OH 3.120E+09 0.000 19350.0 HOOC8H16OOB=>CHOC7H14OOHB+OH 3.120E+09 0.000 20350.0 !******************************************************************************* C8H16CYOC+OH=H2O+C7H14A+HCO 9.360E+07 1.610 -1281.0 REV / 9.219E-08 4.566 22896.4 / C8H16CYOC+HO2=H2O2+C7H14A+HCO 4.880E+12 0.000 15087.0 REV / 2.454E-01 2.383 8573.6 / !******************************************************************************* ! HOOC8H16OOC=>CHOC7H14OOHC+OH 2.500E+10 0.000 21400.0 HOOC8H16OOC=>CHOC7H14OOHC+OH 2.500E+10 0.000 22400.0 !******************************************************************************* CH3CHCO+H=>C2H5+CO 4.400E+12 0.000 1459.0 CH3CHCO+O=>CH3CHO+CO 3.200E+12 0.000 -437.0 CH3CHCO+OH=>CO2+C2H5 2.000E+12 0.000 -1010.0 IC2H6CCO+H=>IC3H7+CO 4.400E+12 0.000 1459.0 IC2H6CCO+O=>CH3COCH3+CO 3.200E+12 0.000 -437.0 IC2H6CCO+OH=>CO2+IC3H7 2.000E+12 0.000 -1010.0 C8H15A+O2=>C4H9CHOB+CH3COCH2 4.570E+12 0.000 18800.0 !******************************************************************************* ! HOOC8H16OOD=>COC7H15OOHA+OH 1.250E+10 0.000 17850.0 HOOC8H16OOD=>COC7H15OOHA+OH 1.250E+10 0.000 18850.0 !******************************************************************************* C8H16CYOD+OH=H2O+IC2H6CCO+TC4H9 5.730E+10 0.510 -1137.0 REV / 8.999E-08 4.373 19424.9 / C8H16CYOD+HO2=H2O2+IC2H6CCO+TC4H9 2.160E+12 0.000 12500.0 REV / 1.732E-04 3.290 2371.1 / !******************************************************************************* ! HOOC8H16OOE=>COC7H15OOHB+OH 1.000E+11 0.000 23850.0 HOOC8H16OOE=>COC7H15OOHB+OH 1.000E+11 0.000 24850.0 !******************************************************************************* C8H16CYOE+OH=H2O+C7H14B+HCO 4.680E+07 1.610 -1281.0 REV / 4.390E-08 4.674 19781.0 / C8H16CYOE+HO2=H2O2+C7H14B+HCO 2.440E+12 0.000 15087.0 REV / 1.168E-01 2.491 5458.2 / C8H16CYOE+OH=H2O+C3H6+C4H9COB 5.730E+10 0.510 -1137.0 REV / 1.789E-05 3.624 25269.5 / C8H16CYOE+HO2=H2O2+C3H6+C4H9COB 2.160E+12 0.000 12500.0 REV / 3.443E-02 2.541 8215.7 / !******************************************************************************* ! HOOC8H16OOF=>COC7H15OOHC+OH 1.250E+10 0.000 17850.0 HOOC8H16OOF=>COC7H15OOHC+OH 1.250E+10 0.000 18850.0 !******************************************************************************* C4H9COB=>TC4H9+CO 4.093E+22 -2.774 18692.5 IC3H7CO=>IC3H7+CO 3.792E+20 -2.229 19108.3 C8H16CYOF+OH=H2O+C6H14CCOA+H 4.680E+07 1.610 -1281.0 REV / 1.703E+02 2.519 9369.1 / C8H16CYOF+HO2=H2O2+C6H14CCOA+H 2.440E+12 0.000 15087.0 REV / 4.532E+08 0.336 -4953.7 / C6H13VCOA=CH2CO+C5H11B 1.172E+21 -2.122 42348.5 REV / 8.500E+10 0.000 10600.0 / C6H13VCOA+O2=>C4H10CCOB+CH2O+OH 6.100E+03 1.629 -4430.0 C6H13VCOB=C4H10CCOB+CH3 4.583E+18 -1.437 45175.4 REV / 8.500E+10 0.000 10600.0 / C6H13VCOB+O2=>CH2CO+C4H9CHOB+OH 6.100E+03 1.629 -4430.0 C5H11COB=>C5H11B+CO 8.407E+18 -1.781 15248.6 C6H13F=C5H10C+CH3 1.197E+21 -2.166 34238.8 REV / 1.700E+11 0.000 10600.0 / C6H13F=IC4H8+C2H5 7.541E+22 -2.790 32120.0 REV / 8.500E+10 0.000 10600.0 / C6H13F+O2=C6H13OOF 1.000E+12 0.000 -830.0 REV / 6.799E+19 -1.720 32455.7 / C6H13F+HO2=>C6H13OF+OH 7.000E+12 0.000 -1000.0 C6H13F+CH3OO=>C6H13OF+CH3O 7.000E+12 0.000 -1000.0 C6H13OOE=>C6H12F+HO2 6.000E+12 0.000 57720.0 C6H13OOE=C6H12OOHQ 1.600E+12 0.000 34140.0 REV / 1.169E+11 0.032 23670.8 / C6H13OOE=C6H12OOHR 1.125E+11 0.000 24200.0 REV / 6.677E+10 -0.375 11285.4 / NC7H16+C6H13OOE=NC7H15A+C6H13OOHE 1.210E+13 0.000 20430.0 REV / 1.091E+13 -0.377 7517.0 / NC7H16+C6H13OOE=NC7H15B+C6H13OOHE 8.060E+12 0.000 17700.0 REV / 5.743E+11 -0.058 7330.4 / NC7H16+C6H13OOE=NC7H15C+C6H13OOHE 8.060E+12 0.000 17700.0 REV / 5.743E+11 -0.058 7330.4 / NC7H16+C6H13OOE=NC7H15D+C6H13OOHE 4.030E+12 0.000 17700.0 REV / 5.748E+11 -0.058 7330.4 / IC8H18+C6H13OOE=IC8H17A+C6H13OOHE 1.815E+13 0.000 20430.0 REV / 1.087E+13 -0.377 7516.6 / IC8H18+C6H13OOE=IC8H17B+C6H13OOHE 4.030E+12 0.000 17700.0 REV / 5.837E+11 -0.060 7334.4 / IC8H18+C6H13OOE=IC8H17C+C6H13OOHE 2.000E+12 0.000 16000.0 REV / 1.144E+11 0.118 7472.7 / IC8H18+C6H13OOE=IC8H17D+C6H13OOHE 1.210E+13 0.000 20430.0 REV / 2.172E+13 -0.377 7516.6 / HO2+C6H13OOE=O2+C6H13OOHE 1.750E+10 0.000 -3275.0 REV / 6.600E+13 -0.773 37099.7 / H2O2+C6H13OOE=HO2+C6H13OOHE 2.400E+12 0.000 10000.0 REV / 3.401E+13 -0.317 9943.0 / C6H13OOE+NC7H15A=>C6H13OE+C7H15OA 7.000E+12 0.000 -1000.0 C6H13OOE+NC7H15B=>C6H13OE+C7H15OB 7.000E+12 0.000 -1000.0 C6H13OOE+NC7H15C=>C6H13OE+C7H15OC 7.000E+12 0.000 -1000.0 C6H13OOE+NC7H15D=>C6H13OE+C7H15OD 7.000E+12 0.000 -1000.0 C6H13OOE+IC8H17A=>C6H13OE+C8H17OA 7.000E+12 0.000 -1000.0 C6H13OOE+IC8H17B=>C6H13OE+C8H17OB 7.000E+12 0.000 -1000.0 C6H13OOE+IC8H17C=>C6H13OE+C8H17OC 7.000E+12 0.000 -1000.0 C6H13OOE+IC8H17D=>C6H13OE+C8H17OD 7.000E+12 0.000 -1000.0 C6H13OOE+CH3=>C6H13OE+CH3O 7.000E+12 0.000 -1000.0 C6H13OOE+CH3OO=>C6H13OE+CH3O+O2 1.400E+16 -1.610 1860.0 C6H13OE=CH2O+C5H11B 1.000E+11 0.000 11900.0 REV / 7.314E+00 2.293 778.3 / !******************************************************************************* ! HOOC8H16OOJ=>CHOC7H14OOHD+OH 2.000E+11 0.000 26400.0 ! HOOC8H16OOK=>CHOC7H14OOHE+OH 2.500E+10 0.000 21400.0 HOOC8H16OOJ=>CHOC7H14OOHD+OH 2.000E+11 0.000 27400.0 HOOC8H16OOK=>CHOC7H14OOHE+OH 2.500E+10 0.000 22400.0 !******************************************************************************* C8H16CYOG+OH=H2O+C7H14D+HCO 9.360E+07 1.610 -1281.0 REV / 2.032E-06 4.269 22350.1 / C8H16CYOG+HO2=H2O2+C7H14D+HCO 4.880E+12 0.000 15087.0 REV / 5.409E+00 2.086 8027.3 / !******************************************************************************* ! HOOC8H16OOL=>CHOC7H14OOHF+OH 2.500E+10 0.000 21400.0 HOOC8H16OOL=>CHOC7H14OOHF+OH 2.500E+10 0.000 22400.0 !******************************************************************************* C7H15OOF=>C7H14B+HO2 6.000E+12 0.000 57310.0 C7H15OOF=>C7H14D+HO2 9.000E+12 0.000 58060.0 C7H15OOF=C7H14OOHT 1.600E+12 0.000 33610.0 REV / 1.133E+11 0.039 23149.7 / C7H15OOF=C7H14OOHU 1.125E+11 0.000 23880.0 REV / 7.570E+10 -0.393 10980.6 / C7H15OOF=C7H14OOHV 2.400E+12 0.000 37420.0 REV / 4.849E+12 -0.393 24520.6 / NC7H16+C7H15OOF=NC7H15A+C7H15OOHF 1.210E+13 0.000 20430.0 REV / 1.274E+13 -0.397 7540.7 / NC7H16+C7H15OOF=NC7H15B+C7H15OOHF 8.060E+12 0.000 17700.0 REV / 6.705E+11 -0.078 7354.2 / NC7H16+C7H15OOF=NC7H15C+C7H15OOHF 8.060E+12 0.000 17700.0 REV / 6.705E+11 -0.078 7354.2 / NC7H16+C7H15OOF=NC7H15D+C7H15OOHF 4.030E+12 0.000 17700.0 REV / 6.711E+11 -0.078 7354.2 / IC8H18+C7H15OOF=IC8H17A+C7H15OOHF 1.815E+13 0.000 20430.0 REV / 1.269E+13 -0.397 7540.3 / IC8H18+C7H15OOF=IC8H17B+C7H15OOHF 4.030E+12 0.000 17700.0 REV / 6.815E+11 -0.080 7358.1 / IC8H18+C7H15OOF=IC8H17C+C7H15OOHF 2.000E+12 0.000 16000.0 REV / 1.336E+11 0.098 7496.4 / IC8H18+C7H15OOF=IC8H17D+C7H15OOHF 1.210E+13 0.000 20430.0 REV / 2.536E+13 -0.397 7540.3 / HO2+C7H15OOF=O2+C7H15OOHF 1.750E+10 0.000 -3275.0 REV / 7.706E+13 -0.793 37123.4 / H2O2+C7H15OOF=HO2+C7H15OOHF 2.400E+12 0.000 10000.0 REV / 3.971E+13 -0.336 9966.7 / C7H15OOF+NC7H15A=>C7H15OF+C7H15OA 7.000E+12 0.000 -1000.0 C7H15OOF+NC7H15B=>C7H15OF+C7H15OB 7.000E+12 0.000 -1000.0 C7H15OOF+NC7H15C=>C7H15OF+C7H15OC 7.000E+12 0.000 -1000.0 C7H15OOF+NC7H15D=>C7H15OF+C7H15OD 7.000E+12 0.000 -1000.0 C7H15OOF+IC8H17A=>C7H15OF+C8H17OA 7.000E+12 0.000 -1000.0 C7H15OOF+IC8H17B=>C7H15OF+C8H17OB 7.000E+12 0.000 -1000.0 C7H15OOF+IC8H17C=>C7H15OF+C8H17OC 7.000E+12 0.000 -1000.0 C7H15OOF+IC8H17D=>C7H15OF+C8H17OD 7.000E+12 0.000 -1000.0 C7H15OOF+CH3=>C7H15OF+CH3O 7.000E+12 0.000 -1000.0 C7H15OOF+CH3OO=>C7H15OF+CH3O+O2 1.400E+16 -1.610 1860.0 C7H15OF=C5H11CHOB+CH3 1.000E+11 0.000 11900.0 REV / 5.445E+00 2.291 1703.3 / C7H15OF=CH3CHO+C5H11B 1.000E+11 0.000 11900.0 REV / 1.842E-01 2.622 3246.1 / C7H14CYOI+OH=H2O+IC2H6CCO+IC3H7 5.730E+10 0.510 -1137.0 REV / 9.381E-06 3.833 18297.3 / C7H14CYOI+HO2=H2O2+IC2H6CCO+IC3H7 2.160E+12 0.000 12500.0 REV / 1.805E-02 2.749 1243.5 / C7H14CYOK+OH=H2O+IC4H8+CH3CHCHO 4.680E+07 1.610 -1281.0 REV / 1.841E-08 4.682 1814.2 / C7H14CYOK+HO2=H2O2+IC4H8+CH3CHCHO 2.440E+12 0.000 15087.0 REV / 4.901E-02 2.499 -12508.5 / C7H14CYOL+OH=H2O+C5H12CCOB+H 4.680E+07 1.610 -1281.0 REV / 2.069E+02 2.491 9395.2 / C7H14CYOL+HO2=H2O2+C5H12CCOB+H 2.440E+12 0.000 15087.0 REV / 5.507E+08 0.308 -4927.6 / C5H11VCOA=CH2CO+IC4H9 7.235E+20 -2.058 42274.9 REV / 8.500E+10 0.000 10600.0 / C5H11VCOA+O2=>C3H8CCOB+CH2O+OH 6.100E+03 1.629 -4430.0 C5H11VCOB=C3H8CCOB+CH3 4.169E+18 -1.427 44390.0 REV / 8.500E+10 0.000 10600.0 / C5H11VCOB+O2=>CH2CO+IC3H7CHO+OH 6.100E+03 1.629 -4430.0 C4H9COC=>IC4H9+CO 4.814E+18 -1.707 15161.2 C4H8CYOIT+OH=H2O+IC2H6CCO+H 4.680E+07 1.610 -1281.0 REV / 2.293E+02 2.595 9446.1 / C4H8CYOIT+HO2=H2O2+IC2H6CCO+H 2.440E+12 0.000 15087.0 REV / 6.103E+08 0.412 -4876.7 / HOOC4H8OOIT=>CHOC3H6OOHIT+OH 2.000E+11 0.000 26400.0 C4H8CYOII+OH=H2O+C3H6+HCO 9.360E+07 1.610 -1281.0 REV / 2.535E-06 4.264 22521.0 / C4H8CYOII+HO2=H2O2+C3H6+HCO 4.880E+12 0.000 15087.0 REV / 6.747E+00 2.080 8198.2 / HOOC4H8OOII=>CHOC3H6OOHII+OH 2.500E+10 0.000 21400.0 C5H10CYOD+OH=H2O+IC4H8+HCO 9.360E+07 1.610 -1281.0 REV / 1.337E-07 4.634 22990.5 / C5H10CYOD+HO2=H2O2+IC4H8+HCO 4.880E+12 0.000 15087.0 REV / 3.558E-01 2.451 8667.7 / HOOC5H10OOD=>CHOC4H8OOHD+OH 2.500E+10 0.000 21400.0 HOOC3H6OOHBA=>CH3COCH2OOH+OH 1.000E+11 0.000 23850.0 C5H12CCOA+H=>C6H13A+CO 4.400E+12 0.000 1459.0 C5H12CCOA+O=>C5H11CHOA+CO 3.200E+12 0.000 -437.0 C5H12CCOA+OH=>CO2+C6H13A 2.000E+12 0.000 -1010.0 !******************************************************************************* ! CHOC6H12OOHA=>OH+C5H11CHOA+HCO 1.500E+16 0.000 42000.0 ! CHOC6H12OOHB=>OH+C4H9CHOA+CH2CHO 1.500E+16 0.000 42000.0 CHOC6H12OOHA=>OH+C5H11CHOA+HCO 1.500E+16 0.000 40000.0 CHOC6H12OOHB=>OH+C4H9CHOA+CH2CHO 1.500E+16 0.000 40000.0 !******************************************************************************* C4H9VCOA=CH2CO+NC3H7 1.064E+21 -2.109 42336.4 REV / 8.500E+10 0.000 10600.0 / C4H9VCOA+O2=>C2H5CHCO+CH2O+OH 6.100E+03 1.629 -4430.0 !******************************************************************************* ! CHOC6H12OOHC=>OH+NC3H7CHO+CH2CH2CHO 1.500E+16 0.000 42000.0 CHOC6H12OOHC=>OH+NC3H7CHO+CH2CH2CHO 1.500E+16 0.000 40000.0 !******************************************************************************* C4H10CCOA+H=>C5H11A+CO 4.400E+12 0.000 1459.0 C4H10CCOA+O=>C4H9CHOA+CO 3.200E+12 0.000 -437.0 C4H10CCOA+OH=>CO2+C5H11A 2.000E+12 0.000 -1010.0 !******************************************************************************* ! COC6H13OOHA=>OH+C4H9CHOA+CH3CO 1.500E+16 0.000 42000.0 ! COC6H13OOHB=>OH+NC3H7CHO+CH3COCH2 1.500E+16 0.000 42000.0 COC6H13OOHA=>OH+C4H9CHOA+CH3CO 1.500E+16 0.000 40000.0 COC6H13OOHB=>OH+NC3H7CHO+CH3COCH2 1.500E+16 0.000 40000.0 !******************************************************************************* C2H5COCH2=CH2CO+C2H5 5.467E+21 -2.347 41823.3 REV / 8.500E+10 0.000 10600.0 / C2H5COCH2+O2=>CH3CHCO+CH2O+OH 6.100E+03 1.629 -4430.0 !******************************************************************************* ! COC6H13OOHC=>OH+C2H5CHO+CH2CH2COCH3 1.500E+16 0.000 42000.0 ! COC6H13OOHD=>OH+CH2O+C5H11COA 1.500E+16 0.000 42000.0 COC6H13OOHC=>OH+C2H5CHO+CH2CH2COCH3 1.500E+16 0.000 40000.0 COC6H13OOHD=>OH+CH2O+C5H11COA 1.500E+16 0.000 40000.0 !******************************************************************************* C3H8CCOA+H=>NC4H9+CO 4.400E+12 0.000 1459.0 C3H8CCOA+O=>NC3H7CHO+CO 3.200E+12 0.000 -437.0 C3H8CCOA+OH=>CO2+NC4H9 2.000E+12 0.000 -1010.0 C2H5CHCO+H=>NC3H7+CO 4.400E+12 0.000 1459.0 C2H5CHCO+O=>C2H5CHO+CO 3.200E+12 0.000 -437.0 C2H5CHCO+OH=>CO2+NC3H7 2.000E+12 0.000 -1010.0 !******************************************************************************* ! COC6H13OOHE=>OH+NC3H7CHO+C2H5CO 1.500E+16 0.000 42000.0 ! COC6H13OOHF=>OH+C2H5CHO+C2H5COCH2 1.500E+16 0.000 42000.0 ! COC6H13OOHG=>OH+CH3CHO+C4H9QCOA 1.500E+16 0.000 42000.0 ! COC6H13OOHH=>OH+CH3CHO+C4H9COA 1.500E+16 0.000 42000.0 ! COC6H13OOHI=>OH+CH2O+C5H11VCOC 1.500E+16 0.000 42000.0 ! COC6H13OOHJ=>OH+CH2O+C5H11QCOA 1.500E+16 0.000 42000.0 ! COC6H13OOHK=>OH+CH3CHO+C4H9VCOA 1.500E+16 0.000 42000.0 ! COC6H13OOHL=>OH+C2H5CHO+NC3H7CO 1.500E+16 0.000 42000.0 COC6H13OOHE=>OH+NC3H7CHO+C2H5CO 1.500E+16 0.000 40000.0 COC6H13OOHF=>OH+C2H5CHO+C2H5COCH2 1.500E+16 0.000 40000.0 COC6H13OOHG=>OH+CH3CHO+C4H9QCOA 1.500E+16 0.000 40000.0 COC6H13OOHH=>OH+CH3CHO+C4H9COA 1.500E+16 0.000 40000.0 COC6H13OOHI=>OH+CH2O+C5H11VCOC 1.500E+16 0.000 40000.0 COC6H13OOHJ=>OH+CH2O+C5H11QCOA 1.500E+16 0.000 40000.0 COC6H13OOHK=>OH+CH3CHO+C4H9VCOA 1.500E+16 0.000 40000.0 COC6H13OOHL=>OH+C2H5CHO+NC3H7CO 1.500E+16 0.000 40000.0 !******************************************************************************* C6H11B+O2=>C2H5CHO+CH3CHCHO 4.570E+12 0.000 18800.0 C6H12CYOD+OH=H2O+C2H5CHCO+C2H5 1.146E+11 0.510 -1137.0 REV / 9.913E-05 3.759 19534.3 / C6H12CYOD+HO2=H2O2+C2H5CHCO+C2H5 4.320E+12 0.000 12500.0 REV / 1.908E-01 2.675 2480.5 / HOOC6H12OOD=>COC5H11OOHA+OH 1.000E+11 0.000 23850.0 C6H12CYOE+OH=H2O+N1C4H8+CH3CO 5.730E+10 0.510 -1137.0 REV / 7.038E-06 3.866 26785.9 / C6H12CYOE+HO2=H2O2+N1C4H8+CH3CO 2.160E+12 0.000 12500.0 REV / 1.354E-02 2.782 9732.1 / C6H12CYOE+OH=H2O+C3H6+C2H5CO 5.730E+10 0.510 -1137.0 REV / 4.491E-06 3.882 24091.3 / C6H12CYOE+HO2=H2O2+C3H6+C2H5CO 2.160E+12 0.000 12500.0 REV / 8.642E-03 2.799 7037.6 / HOOC6H12OOE=>COC5H11OOHB+OH 1.250E+10 0.000 17850.0 HOOC6H12OOF=>COC5H11OOHC+OH 1.560E+09 0.000 16050.0 C6H12CYOF+OH=H2O+C3H8CCOA+CH3 5.730E+10 0.510 -1137.0 REV / 1.061E-02 3.179 17524.1 / C6H12CYOF+HO2=H2O2+C3H8CCOA+CH3 2.160E+12 0.000 12500.0 REV / 2.043E+01 2.096 470.3 / C6H12CYOF+OH=H2O+CH3CHCO+NC3H7 5.730E+10 0.510 -1137.0 REV / 2.164E-04 3.566 19136.7 / C6H12CYOF+HO2=H2O2+CH3CHCO+NC3H7 2.160E+12 0.000 12500.0 REV / 4.164E-01 2.483 2082.9 / HOOC6H12OOG=>COC5H11OOHD+OH 1.000E+11 0.000 23850.0 HOOC6H12OOH=>COC5H11OOHE+OH 1.250E+10 0.000 17850.0 HOOC6H12OOI=>COC5H11OOHF+OH 1.000E+11 0.000 23850.0 HOOC6H12OOJ=>COC5H11OOHG+OH 1.250E+10 0.000 17850.0 C6H12CYOG+OH=H2O+C3H6+CH3COCH2 1.146E+11 0.510 -1137.0 REV / 1.909E-04 3.622 5703.6 / C6H12CYOG+HO2=H2O2+C3H6+CH3COCH2 4.320E+12 0.000 12500.0 REV / 3.674E-01 2.538 -11350.2 / HOOC6H12OOK=>COC5H11OOHH+OH 1.560E+09 0.000 16050.0 HOOC6H12OOL=>COC5H11OOHI+OH 1.000E+11 0.000 23850.0 CHOC5H10OOHA=>OH+C4H9CHOA+HCO 1.500E+16 0.000 42000.0 CHOC5H10OOHB=>OH+NC3H7CHO+CH2CHO 1.500E+16 0.000 42000.0 CHOC5H10OOHC=>OH+C2H5CHO+CH2CH2CHO 1.500E+16 0.000 42000.0 C5H9B+O2=>CH3CHO+CH3CHCHO 4.570E+12 0.000 18800.0 C5H10CYOE+OH=H2O+C2H5CHCO+CH3 5.730E+10 0.510 -1137.0 REV / 3.835E-02 3.004 17702.0 / C5H10CYOE+HO2=H2O2+C2H5CHCO+CH3 2.160E+12 0.000 12500.0 REV / 7.379E+01 1.921 648.2 / C5H10CYOE+OH=H2O+CH3CHCO+C2H5 5.730E+10 0.510 -1137.0 REV / 1.430E-04 3.636 19812.1 / C5H10CYOE+HO2=H2O2+CH3CHCO+C2H5 2.160E+12 0.000 12500.0 REV / 2.752E-01 2.553 2758.3 / HOOC5H10OOE=>COC4H9OOHA+OH 1.000E+11 0.000 23850.0 C5H10CYOF+OH=H2O+C3H6+CH3CO 1.146E+11 0.510 -1137.0 REV / 1.247E-05 3.905 26904.5 / C5H10CYOF+HO2=H2O2+C3H6+CH3CO 4.320E+12 0.000 12500.0 REV / 2.400E-02 2.822 9850.7 / HOOC5H10OOF=>COC4H9OOHB+OH 1.250E+10 0.000 17850.0 HOOC5H10OOG=>COC4H9OOHC+OH 1.560E+09 0.000 16050.0 HOOC5H10OOH=>COC4H9OOHD+OH 1.000E+11 0.000 23850.0 CHOC4H8OOHA=>OH+NC3H7CHO+HCO 1.500E+16 0.000 42000.0 CHOC4H8OOHB=>OH+C2H5CHO+CH2CHO 1.500E+16 0.000 42000.0 CHOC4H8OOHC=>OH+CH3CHO+CH2CH2CHO 1.500E+16 0.000 42000.0 CHOC2H4OOHB=>OH+CH3CHO+HCO 1.500E+16 0.000 42000.0 CHOC2H4OOHC=>OH+CH2O+CH2CHO 1.500E+16 0.000 42000.0 CHOC3H6OOHAB=>OH+C2H5CHO+HCO 1.500E+16 0.000 42000.0 CHOC3H6OOHAC=>OH+CH3CHO+CH2CHO 1.500E+16 0.000 42000.0 CHOC3H6OOHAD=>OH+CH2O+CH2CH2CHO 1.500E+16 0.000 42000.0 C6H12D+H=C6H11C+H2 1.250E+12 0.000 800.0 REV / 2.913E+10 0.619 21073.9 / C6H12D+OH=C6H11C+H2O 2.750E+12 0.000 2000.0 REV / 9.690E+11 0.460 37792.8 / C6H12D+CH3=C6H11C+CH4 3.500E+10 0.000 8300.0 REV / 3.944E+11 0.262 30022.9 / C6H12D+O=>CH3CHCHO+IC3H7 7.100E+12 0.000 630.0 C6H12E+H=C6H11D+H2 2.500E+12 0.000 900.0 REV / 8.952E+10 0.448 19013.9 / C6H12E+OH=C6H11D+H2O 5.500E+12 0.000 2100.0 REV / 2.978E+12 0.289 35732.8 / C6H12E+CH3=C6H11D+CH4 7.000E+10 0.000 8500.0 REV / 1.212E+12 0.092 28062.9 / C6H12E+O=>C5H11D+HCO 7.300E+12 0.000 1710.0 C6H12OOHM=>C6H12CYOH+OH 4.000E+13 0.000 14990.0 C6H12OOHM+O2=HOOC6H12OOM 1.000E+12 0.000 -1300.0 REV / 5.607E+21 -2.194 33786.8 / C6H12OOHN=>IC4H8+CH3CHO+OH 5.000E+13 0.000 29500.0 C6H12OOHN=>C6H12CYOI+OH 3.200E+12 0.000 23930.0 C6H12OOHN+O2=HOOC6H12OON 1.000E+12 0.000 -1500.0 REV / 2.313E+22 -2.385 34096.2 / C6H12OOHO=>C6H12CYOJ+OH 1.000E+12 0.000 17420.0 C6H12OOHO+O2=HOOC6H12OOO 1.000E+12 0.000 -830.0 REV / 2.901E+19 -1.603 32340.1 / C6H12OOHP=>C6H12CYOK+OH 1.000E+14 0.000 16540.0 C6H12OOHP+O2=HOOC6H12OOP 1.000E+12 0.000 -830.0 REV / 2.901E+19 -1.603 32340.1 / C6H13OOHD=OH+C6H13OD 4.607E+21 -1.917 46250.4 REV / 1.000E+13 0.000 0.0 / C4H9CHOC+H=C4H9COC+H2 1.260E+14 0.000 5600.0 REV / 6.487E+10 0.675 20023.2 / C4H9CHOC+OH=C4H9COC+H2O 5.730E+10 0.510 -1637.0 REV / 4.461E+08 1.027 28305.1 / C4H9CHOC+HO2=C4H9COC+H2O2 2.160E+12 0.000 12000.0 REV / 8.584E+11 -0.057 11251.3 / C4H9CHOC+CH3OO=C4H9COC+CH3OOH 2.000E+12 0.000 11600.0 REV / 5.729E+12 -0.372 8500.1 / C4H9CHOC+H=C4H8VCHOB+H2 9.100E+06 2.000 3500.0 REV / 2.071E+05 2.396 15295.1 / C4H9CHOC+OH=C4H8VCHOB+H2O 4.680E+07 1.610 -1535.0 REV / 1.610E+07 1.848 25779.0 / C4H9CHOC+HO2=C4H8VCHOB+H2O2 2.440E+12 0.000 14800.0 REV / 4.285E+13 -0.336 11423.3 / C4H9CHOC=>HCO+IC4H9 5.470E+22 -1.873 84325.6 !******************************************************************************* ! CHOC7H14OOHA=>OH+IC3H7CHO+IC3H6VCHO 1.500E+16 0.000 42000.0 ! CHOC7H14OOHB=>OH+CH3COCH3+C4H8QCHOA 1.500E+16 0.000 42000.0 ! CHOC7H14OOHC=>OH+CH2O+C6H12VCHOA 1.500E+16 0.000 42000.0 ! COC7H15OOHA=>OH+CH2O+C6H13VCOC 1.500E+16 0.000 42000.0 ! COC7H15OOHB=>OH+CH3COCH3+C4H9COB 1.500E+16 0.000 42000.0 ! COC7H15OOHC=>OH+CH2O+C6H13VCOD 1.500E+16 0.000 42000.0 CHOC7H14OOHA=>OH+IC3H7CHO+IC3H6VCHO 1.500E+16 0.000 40000.0 CHOC7H14OOHB=>OH+CH3COCH3+C4H8QCHOA 1.500E+16 0.000 40000.0 CHOC7H14OOHC=>OH+CH2O+C6H12VCHOA 1.500E+16 0.000 40000.0 COC7H15OOHA=>OH+CH2O+C6H13VCOC 1.500E+16 0.000 40000.0 COC7H15OOHB=>OH+CH3COCH3+C4H9COB 1.500E+16 0.000 40000.0 COC7H15OOHC=>OH+CH2O+C6H13VCOD 1.500E+16 0.000 40000.0 !******************************************************************************* C6H14CCOA+H=>C7H15B+CO 4.400E+12 0.000 1459.0 C6H14CCOA+O=>C6H14COA+CO 3.200E+12 0.000 -437.0 C6H14CCOA+OH=>CO2+C7H15B 2.000E+12 0.000 -1010.0 C4H10CCOB+H=>C5H11B+CO 4.400E+12 0.000 1459.0 C4H10CCOB+O=>C4H9CHOB+CO 3.200E+12 0.000 -437.0 C4H10CCOB+OH=>CO2+C5H11B 2.000E+12 0.000 -1010.0 C5H10C+H=C5H9C+H2 2.500E+12 0.000 900.0 REV / 8.945E+10 0.448 19012.9 / C5H10C+OH=C5H9C+H2O 5.500E+12 0.000 2100.0 REV / 2.976E+12 0.289 35731.8 / C5H10C+CH3=C5H9C+CH4 7.000E+10 0.000 8500.0 REV / 1.211E+12 0.091 28061.9 / C5H10C+O=>SC4H9+HCO 7.300E+12 0.000 1710.0 C6H13OOF=C6H12OOHS 2.000E+11 0.000 23000.0 REV / 1.461E+10 0.032 12530.8 / C6H13OOF=C6H12OOHT 3.750E+10 0.000 24200.0 REV / 6.675E+10 -0.375 11285.4 / C6H13OOF=C6H12OOHU 6.000E+11 0.000 25300.0 REV / 1.068E+12 -0.375 12385.4 / NC7H16+C6H13OOF=NC7H15A+C6H13OOHF 1.210E+13 0.000 20430.0 REV / 1.091E+13 -0.377 7517.0 / NC7H16+C6H13OOF=NC7H15B+C6H13OOHF 8.060E+12 0.000 17700.0 REV / 5.742E+11 -0.058 7330.4 / NC7H16+C6H13OOF=NC7H15C+C6H13OOHF 8.060E+12 0.000 17700.0 REV / 5.742E+11 -0.058 7330.4 / NC7H16+C6H13OOF=NC7H15D+C6H13OOHF 4.030E+12 0.000 17700.0 REV / 5.748E+11 -0.058 7330.4 / IC8H18+C6H13OOF=IC8H17A+C6H13OOHF 1.815E+13 0.000 20430.0 REV / 1.087E+13 -0.377 7516.6 / IC8H18+C6H13OOF=IC8H17B+C6H13OOHF 4.030E+12 0.000 17700.0 REV / 5.837E+11 -0.060 7334.4 / IC8H18+C6H13OOF=IC8H17C+C6H13OOHF 2.000E+12 0.000 16000.0 REV / 1.144E+11 0.118 7472.7 / IC8H18+C6H13OOF=IC8H17D+C6H13OOHF 1.210E+13 0.000 20430.0 REV / 2.172E+13 -0.377 7516.6 / HO2+C6H13OOF=O2+C6H13OOHF 1.750E+10 0.000 -3275.0 REV / 6.600E+13 -0.773 37099.7 / H2O2+C6H13OOF=HO2+C6H13OOHF 2.400E+12 0.000 10000.0 REV / 3.401E+13 -0.317 9943.0 / C6H13OOF+NC7H15A=>C6H13OF+C7H15OA 7.000E+12 0.000 -1000.0 C6H13OOF+NC7H15B=>C6H13OF+C7H15OB 7.000E+12 0.000 -1000.0 C6H13OOF+NC7H15C=>C6H13OF+C7H15OC 7.000E+12 0.000 -1000.0 C6H13OOF+NC7H15D=>C6H13OF+C7H15OD 7.000E+12 0.000 -1000.0 C6H13OOF+IC8H17A=>C6H13OF+C8H17OA 7.000E+12 0.000 -1000.0 C6H13OOF+IC8H17B=>C6H13OF+C8H17OB 7.000E+12 0.000 -1000.0 C6H13OOF+IC8H17C=>C6H13OF+C8H17OC 7.000E+12 0.000 -1000.0 C6H13OOF+IC8H17D=>C6H13OF+C8H17OD 7.000E+12 0.000 -1000.0 C6H13OOF+CH3=>C6H13OF+CH3O 7.000E+12 0.000 -1000.0 C6H13OOF+CH3OO=>C6H13OF+CH3O+O2 1.400E+16 -1.610 1860.0 C6H13OF=CH2O+C5H11E 1.000E+11 0.000 11900.0 REV / 3.646E-03 3.120 2240.5 / C6H12F+O=>C5H11B+HCO 7.300E+12 0.000 1710.0 C6H12OOHQ=>C6H12CYOL+OH 4.000E+13 0.000 14990.0 C6H12OOHQ+O2=HOOC6H12OOQ 1.000E+12 0.000 -1300.0 REV / 1.121E+22 -2.285 33895.5 / C6H12OOHR=>C6H12CYOM+OH 1.000E+12 0.000 17420.0 C6H12OOHR+O2=HOOC6H12OOR 1.000E+12 0.000 -830.0 REV / 4.304E+19 -1.658 32389.4 / C6H13OOHE=OH+C6H13OE 4.805E+21 -1.920 46269.1 REV / 1.000E+13 0.000 0.0 / !******************************************************************************* ! CHOC7H14OOHD=>OH+C6H14COA+HCO 1.500E+16 0.000 42000.0 ! CHOC7H14OOHE=>OH+C4H9CHOB+CH3CHCHO 1.500E+16 0.000 42000.0 ! CHOC7H14OOHF=>OH+CH2O+C6H12VCHOB 1.500E+16 0.000 42000.0 CHOC7H14OOHD=>OH+C6H14COA+HCO 1.500E+16 0.000 40000.0 CHOC7H14OOHE=>OH+C4H9CHOB+CH3CHCHO 1.500E+16 0.000 40000.0 CHOC7H14OOHF=>OH+CH2O+C6H12VCHOB 1.500E+16 0.000 40000.0 !******************************************************************************* C7H14OOHT=>C7H14CYOM+OH 4.000E+13 0.000 14990.0 C7H14OOHT+O2=HOOC7H14OOT 1.000E+12 0.000 -1300.0 REV / 7.996E+21 -2.242 33837.0 / C7H14OOHU=>C7H14CYON+OH 1.000E+12 0.000 17420.0 C7H14OOHU+O2=HOOC7H14OOU 1.000E+12 0.000 -830.0 REV / 2.790E+19 -1.597 32336.0 / C7H14OOHV=>C7H14CYOO+OH 1.000E+14 0.000 16540.0 C7H14OOHV+O2=HOOC7H14OOV 1.000E+12 0.000 -830.0 REV / 2.787E+19 -1.597 32336.0 / C7H15OOHF=OH+C7H15OF 1.084E+22 -2.031 46380.5 REV / 1.000E+13 0.000 0.0 / C5H11CHOB+H=C5H11COB+H2 1.260E+14 0.000 5600.0 REV / 6.607E+10 0.673 20026.0 / C5H11CHOB+OH=C5H11COB+H2O 5.730E+10 0.510 -1637.0 REV / 4.543E+08 1.024 28307.9 / C5H11CHOB+HO2=C5H11COB+H2O2 2.160E+12 0.000 12000.0 REV / 8.743E+11 -0.059 11254.1 / C5H11CHOB+CH3OO=C5H11COB+CH3OOH 2.000E+12 0.000 11600.0 REV / 5.835E+12 -0.374 8502.9 / C5H11CHOB+H=C5H10VCHOB+H2 9.100E+06 2.000 3500.0 REV / 1.989E+05 2.402 15288.3 / C5H11CHOB+OH=C5H10VCHOB+H2O 4.680E+07 1.610 -1535.0 REV / 1.547E+07 1.853 25772.3 / C5H11CHOB+HO2=C5H10VCHOB+H2O2 2.440E+12 0.000 14800.0 REV / 4.118E+13 -0.330 11416.5 / C5H11CHOB=>HCO+C5H11B 9.378E+22 -1.944 84410.2 C5H12CCOB+H=>C6H13D+CO 4.400E+12 0.000 1459.0 C5H12CCOB+O=>C5H12COA+CO 3.200E+12 0.000 -437.0 C5H12CCOB+OH=>CO2+C6H13D 2.000E+12 0.000 -1010.0 C3H8CCOB+H=>IC4H9+CO 4.400E+12 0.000 1459.0 C3H8CCOB+O=>IC3H7CHO+CO 3.200E+12 0.000 -437.0 C3H8CCOB+OH=>CO2+IC4H9 2.000E+12 0.000 -1010.0 CHOC3H6OOHIT=>OH+CH3COCH3+HCO 1.500E+16 0.000 42000.0 CHOC3H6OOHII=>OH+CH2O+CH3CHCHO 1.500E+16 0.000 42000.0 CHOC4H8OOHD=>OH+CH2O+IC3H6VCHO 1.500E+16 0.000 42000.0 CH3COCH2OOH=>OH+CH2O+CH3CO 1.500E+16 0.000 42000.0 CH2CH2CHO=>C2H4+HCO 6.639E+17 -1.737 26874.4 CH2CH2CHO+O2=>C2H4OOH+CO 3.100E+03 1.629 -6300.0 CH2CH2COCH3=>C2H4+CH3CO 1.055E+19 -2.022 23607.7 CH2CH2COCH3+O2=>CH2CO+C2H4OOH 7.600E+02 1.629 -6350.0 C4H9QCOA=>C2H4+C2H5CO 7.687E+18 -1.945 26644.8 C4H9QCOA+O2=>CH3CHCO+C2H4OOH 7.600E+02 1.629 -6350.0 C5H11VCOC=CH2CO+NC4H9 1.180E+21 -2.123 42352.0 REV / 8.500E+10 0.000 10600.0 / C5H11VCOC+O2=>C3H8CCOA+CH2O+OH 6.100E+03 1.629 -4430.0 C5H11QCOA=>C2H4+NC3H7CO 8.415E+18 -1.957 26659.2 C5H11QCOA+O2=>C2H5CHCO+C2H4OOH 7.600E+02 1.629 -6350.0 COC5H11OOHA=>OH+C2H5CHO+C2H5CO 1.500E+16 0.000 42000.0 COC5H11OOHB=>OH+CH3CHO+C2H5COCH2 1.500E+16 0.000 42000.0 COC5H11OOHC=>OH+CH2O+C4H9QCOA 1.500E+16 0.000 42000.0 COC5H11OOHD=>OH+CH3CHO+NC3H7CO 1.500E+16 0.000 42000.0 COC5H11OOHE=>OH+CH2O+C4H9VCOA 1.500E+16 0.000 42000.0 COC5H11OOHF=>OH+NC3H7CHO+CH3CO 1.500E+16 0.000 42000.0 COC5H11OOHG=>OH+C2H5CHO+CH3COCH2 1.500E+16 0.000 42000.0 COC5H11OOHH=>OH+CH3CHO+CH2CH2COCH3 1.500E+16 0.000 42000.0 COC5H11OOHI=>OH+CH2O+C4H9COA 1.500E+16 0.000 42000.0 COC4H9OOHA=>OH+C2H5CHO+CH3CO 1.500E+16 0.000 42000.0 COC4H9OOHB=>OH+CH3CHO+CH3COCH2 1.500E+16 0.000 42000.0 COC4H9OOHC=>OH+CH2O+CH2CH2COCH3 1.500E+16 0.000 42000.0 COC4H9OOHD=>OH+CH2O+NC3H7CO 1.500E+16 0.000 42000.0 C6H11C+O2=>CH3COCH3+CH3CHCHO 4.570E+12 0.000 18800.0 C6H11D+O2=>IC3H7CHO+CH2CHO 4.570E+12 0.000 18800.0 C5H11D=C2H4+IC3H7 1.224E+21 -2.429 30745.0 REV / 8.500E+10 0.000 7800.0 / C5H11D=C5H11F 7.620E+09 0.350 20740.0 REV / 7.620E+09 0.350 20740.0 / C5H11D+O2=C5H11OOD 1.000E+12 0.000 -830.0 REV / 4.013E+19 -1.649 32374.9 / C5H11D+HO2=>C5H11OD+OH 7.000E+12 0.000 -1000.0 C5H11D+CH3OO=>C5H11OD+CH3O 7.000E+12 0.000 -1000.0 C6H12CYOH+OH=H2O+CH3CHCO+IC3H7 5.730E+10 0.510 -1137.0 REV / 9.499E-06 3.874 19446.7 / C6H12CYOH+HO2=H2O2+CH3CHCO+IC3H7 2.160E+12 0.000 12500.0 REV / 1.828E-02 2.791 2392.9 / C6H12CYOH+OH=H2O+C3H8CCOB+CH3 5.730E+10 0.510 -1137.0 REV / 1.874E-02 3.101 17352.4 / C6H12CYOH+HO2=H2O2+C3H8CCOB+CH3 2.160E+12 0.000 12500.0 REV / 3.606E+01 2.018 298.6 / HOOC6H12OOM=>COC5H11OOHJ+OH 1.000E+11 0.000 23850.0 C6H12CYOI+OH=H2O+IC4H8+CH3CO 5.730E+10 0.510 -1137.0 REV / 1.852E-06 4.032 25612.8 / C6H12CYOI+HO2=H2O2+IC4H8+CH3CO 2.160E+12 0.000 12500.0 REV / 3.563E-03 2.949 8559.0 / HOOC6H12OON=>COC5H11OOHK+OH 1.250E+10 0.000 17850.0 C6H12CYOJ+OH=H2O+C3H6+CH3CHCHO 4.680E+07 1.610 -1281.0 REV / 3.336E-08 4.639 3015.2 / C6H12CYOJ+HO2=H2O2+C3H6+CH3CHCHO 2.440E+12 0.000 15087.0 REV / 8.878E-02 2.455 -11307.6 / C6H12CYOJ+OH=H2O+C3H6+CH3COCH2 5.730E+10 0.510 -1137.0 REV / 1.652E-04 3.466 7828.2 / C6H12CYOJ+HO2=H2O2+C3H6+CH3COCH2 2.160E+12 0.000 12500.0 REV / 3.179E-01 2.383 -9225.6 / HOOC6H12OOO=>COC5H11OOHL+OH 1.560E+09 0.000 16050.0 C6H12CYOK+OH=H2O+C4H10CCOC+H 4.680E+07 1.610 -1281.0 REV / 4.745E+02 2.516 10556.0 / C6H12CYOK+HO2=H2O2+C4H10CCOC+H 2.440E+12 0.000 15087.0 REV / 1.263E+09 0.333 -3766.8 / C6H12CYOK+OH=H2O+CH2CO+IC4H9 5.730E+10 0.510 -1137.0 REV / 3.134E-03 3.359 21336.2 / C6H12CYOK+HO2=H2O2+CH2CO+IC4H9 2.160E+12 0.000 12500.0 REV / 6.031E+00 2.275 4282.4 / HOOC6H12OOP=>COC5H11OOHM+OH 1.000E+11 0.000 23850.0 C4H8VCHOB=C3H8CCOB+H 1.878E+14 -0.077 40544.7 REV / 1.000E+13 0.000 2900.0 / C4H8VCHOB+O2=>C3H8CCOB+HO2 1.500E+06 1.629 5570.0 C4H8VCHOB+O2=>CO+IC3H7CHO+OH 4.900E+04 1.629 1570.0 C4H8QCHOA=>IC4H8+HCO 9.296E+20 -2.381 27617.8 C4H8QCHOA+O2=>C4H8OOHIT+CO 3.100E+03 1.629 -6300.0 C6H12VCHOA=C5H12CCOB+H 1.629E+14 -0.054 40649.7 REV / 1.000E+13 0.000 2900.0 / C6H12VCHOA+O2=>C5H12CCOB+HO2 1.500E+06 1.629 5570.0 C6H12VCHOA+O2=>CO+C5H12COA+OH 4.900E+04 1.629 1570.0 C6H13VCOC=IC2H6CCO+IC3H7 9.022E+21 -2.233 42633.6 REV / 8.500E+10 0.000 10600.0 / C6H13VCOC+O2=>IC2H6CCO+CH3COCH3+OH 6.100E+03 1.629 -4430.0 C6H13VCOD=CH3CHCO+TC4H9 1.097E+24 -2.798 40457.7 REV / 8.500E+10 0.000 10600.0 / C5H9C+O2=>CH3CHO+CH3COCH2 4.570E+12 0.000 18800.0 SC4H9=C3H6+CH3 3.449E+17 -1.509 32084.8 REV / 8.500E+10 0.000 7800.0 / SC4H9+O2=SC4H9OO 1.000E+12 0.000 -1300.0 REV / 5.324E+21 -2.185 33785.9 / SC4H9+HO2=>SC4H9O+OH 7.000E+12 0.000 -1000.0 SC4H9+CH3OO=>SC4H9O+CH3O 7.000E+12 0.000 -1000.0 C6H12OOHS=>C5H10D+CH2O+OH 5.000E+13 0.000 29500.0 C6H12OOHS=>C6H12CYON+OH 5.000E+12 0.000 25610.0 C6H12OOHS+O2=HOOC6H12OOS 1.000E+12 0.000 -1300.0 REV / 1.119E+22 -2.285 33895.5 / C6H12OOHT=>C6H12CYOM+OH 1.000E+12 0.000 17420.0 C6H12OOHT+O2=HOOC6H12OOT 1.000E+12 0.000 -830.0 REV / 4.304E+19 -1.658 32389.4 / C6H12OOHU=>C5H10C+CH2O+OH 5.000E+13 0.000 29500.0 C6H12OOHU=>C6H12CYOO+OH 1.580E+13 0.000 26120.0 C6H12OOHU+O2=HOOC6H12OOU 1.000E+12 0.000 -830.0 REV / 4.304E+19 -1.658 32389.4 / C6H13OOHF=OH+C6H13OF 4.805E+21 -1.920 46269.1 REV / 1.000E+13 0.000 0.0 / C5H11E=IC4H8+CH3 1.988E+17 -1.402 32805.0 REV / 8.500E+10 0.000 7800.0 / C5H11E+O2=C5H11OOE 1.000E+12 0.000 -1500.0 REV / 2.387E+22 -2.385 34112.8 / C5H11E+HO2=>C5H11OE+OH 7.000E+12 0.000 -1000.0 C5H11E+CH3OO=>C5H11OE+CH3O 7.000E+12 0.000 -1000.0 C6H12CYOL+OH=H2O+C4H10CCOB+H 4.680E+07 1.610 -1281.0 REV / 4.157E+02 2.528 9502.0 / C6H12CYOL+HO2=H2O2+C4H10CCOB+H 2.440E+12 0.000 15087.0 REV / 1.106E+09 0.345 -4820.8 / C6H12CYOL+OH=H2O+CH2CO+TC4H9 5.730E+10 0.510 -1137.0 REV / 8.375E-07 4.267 22695.8 / C6H12CYOL+HO2=H2O2+CH2CO+TC4H9 2.160E+12 0.000 12500.0 REV / 1.612E-03 3.184 5642.0 / HOOC6H12OOQ=>CHOC5H10OOHD+OH 2.000E+11 0.000 26400.0 C6H12CYOM+OH=H2O+IC4H8+CH2CHO 4.680E+07 1.610 -1281.0 REV / 1.689E-09 4.900 1993.7 / C6H12CYOM+HO2=H2O2+IC4H8+CH2CHO 2.440E+12 0.000 15087.0 REV / 4.496E-03 2.717 -12329.1 / C6H12CYOM+OH=H2O+C2H4+IC3H6VCHO 4.680E+07 1.610 -1281.0 REV / 1.249E-07 4.647 5343.1 / C6H12CYOM+HO2=H2O2+C2H4+IC3H6VCHO 2.440E+12 0.000 15087.0 REV / 3.324E-01 2.464 -8979.7 / HOOC6H12OOR=>CHOC5H10OOHE+OH 3.120E+09 0.000 19350.0 C6H12VCHOB=C5H12CCOC+H 2.134E+14 -0.092 40326.3 REV / 1.000E+13 0.000 2900.0 / C6H12VCHOB+O2=>C5H12CCOC+HO2 1.500E+06 1.629 5570.0 C6H12VCHOB+O2=>CO+C5H11CHOB+OH 4.900E+04 1.629 1570.0 C7H14CYOM+OH=H2O+C4H10CCOB+CH3 5.730E+10 0.510 -1137.0 REV / 5.566E-03 3.273 16449.1 / C7H14CYOM+HO2=H2O2+C4H10CCOB+CH3 2.160E+12 0.000 12500.0 REV / 1.071E+01 2.190 -604.7 / C7H14CYOM+OH=H2O+CH3CHCO+TC4H9 5.730E+10 0.510 -1137.0 REV / 3.145E-08 4.570 20464.0 / C7H14CYOM+HO2=H2O2+CH3CHCO+TC4H9 2.160E+12 0.000 12500.0 REV / 6.052E-05 3.487 3410.2 / HOOC7H14OOT=>COC6H13OOHM+OH 1.000E+11 0.000 23850.0 C7H14CYON+OH=H2O+C3H6+IC3H6VCHO 4.680E+07 1.610 -1281.0 REV / 1.618E-09 5.019 3822.3 / C7H14CYON+HO2=H2O2+C3H6+IC3H6VCHO 2.440E+12 0.000 15087.0 REV / 4.305E-03 2.836 -10500.5 / C7H14CYON+OH=H2O+IC4H8+CH3COCH2 5.730E+10 0.510 -1137.0 REV / 8.199E-06 3.845 8286.4 / C7H14CYON+HO2=H2O2+IC4H8+CH3COCH2 2.160E+12 0.000 12500.0 REV / 1.578E-02 2.762 -8767.4 / HOOC7H14OOU=>COC6H13OOHN+OH 1.560E+09 0.000 16050.0 C7H14CYOO+OH=H2O+C5H12CCOC+H 4.680E+07 1.610 -1281.0 REV / 4.393E+02 2.520 10519.1 / C7H14CYOO+HO2=H2O2+C5H12CCOC+H 2.440E+12 0.000 15087.0 REV / 1.169E+09 0.337 -3803.7 / C7H14CYOO+OH=H2O+CH2CO+C5H11B 5.730E+10 0.510 -1137.0 REV / 2.179E-03 3.404 21267.4 / C7H14CYOO+HO2=H2O2+CH2CO+C5H11B 2.160E+12 0.000 12500.0 REV / 4.194E+00 2.320 4213.6 / HOOC7H14OOV=>COC6H13OOHO+OH 1.000E+11 0.000 23850.0 C5H10VCHOB=C4H10CCOB+H 2.039E+14 -0.086 41329.1 REV / 1.000E+13 0.000 2900.0 / C5H10VCHOB+O2=>C4H10CCOB+HO2 1.500E+06 1.629 5570.0 C5H10VCHOB+O2=>CO+C4H9CHOB+OH 4.900E+04 1.629 1570.0 C5H11F=N1C4H8+CH3 2.673E+19 -1.866 34784.1 REV / 8.500E+10 0.000 10600.0 / C5H11F=C3H6+C2H5 6.626E+21 -2.488 32664.0 REV / 8.500E+10 0.000 10600.0 / C5H11F+O2=C5H11OOF 1.000E+12 0.000 -830.0 REV / 4.013E+19 -1.649 32374.9 / C5H11F+HO2=>C5H11OF+OH 7.000E+12 0.000 -1000.0 C5H11F+CH3OO=>C5H11OF+CH3O 7.000E+12 0.000 -1000.0 C5H11OOD=>C5H10E+HO2 6.000E+12 0.000 52280.0 C5H11OOD=C5H10OOHI 1.600E+12 0.000 34140.0 REV / 1.177E+11 0.032 23673.0 / C5H11OOD=C5H10OOHJ 1.000E+11 0.000 20700.0 REV / 6.910E+09 0.090 12186.4 / C5H11OOD=C5H10OOHK 7.500E+10 0.000 24200.0 REV / 1.231E+11 -0.363 11277.9 / NC7H16+C5H11OOD=NC7H15A+C5H11OOHD 1.210E+13 0.000 20430.0 REV / 9.815E+12 -0.362 7502.1 / NC7H16+C5H11OOD=NC7H15B+C5H11OOHD 8.060E+12 0.000 17700.0 REV / 5.166E+11 -0.043 7315.5 / NC7H16+C5H11OOD=NC7H15C+C5H11OOHD 8.060E+12 0.000 17700.0 REV / 5.166E+11 -0.043 7315.5 / NC7H16+C5H11OOD=NC7H15D+C5H11OOHD 4.030E+12 0.000 17700.0 REV / 5.171E+11 -0.043 7315.5 / IC8H18+C5H11OOD=IC8H17A+C5H11OOHD 1.815E+13 0.000 20430.0 REV / 9.775E+12 -0.362 7501.7 / IC8H18+C5H11OOD=IC8H17B+C5H11OOHD 4.030E+12 0.000 17700.0 REV / 5.251E+11 -0.045 7319.5 / IC8H18+C5H11OOD=IC8H17C+C5H11OOHD 2.000E+12 0.000 16000.0 REV / 1.029E+11 0.133 7457.8 / IC8H18+C5H11OOD=IC8H17D+C5H11OOHD 1.210E+13 0.000 20430.0 REV / 1.954E+13 -0.362 7501.7 / HO2+C5H11OOD=O2+C5H11OOHD 1.750E+10 0.000 -3275.0 REV / 5.937E+13 -0.758 37084.8 / H2O2+C5H11OOD=HO2+C5H11OOHD 2.400E+12 0.000 10000.0 REV / 3.059E+13 -0.302 9928.1 / C5H11OOD+NC7H15A=>C5H11OD+C7H15OA 7.000E+12 0.000 -1000.0 C5H11OOD+NC7H15B=>C5H11OD+C7H15OB 7.000E+12 0.000 -1000.0 C5H11OOD+NC7H15C=>C5H11OD+C7H15OC 7.000E+12 0.000 -1000.0 C5H11OOD+NC7H15D=>C5H11OD+C7H15OD 7.000E+12 0.000 -1000.0 C5H11OOD+IC8H17A=>C5H11OD+C8H17OA 7.000E+12 0.000 -1000.0 C5H11OOD+IC8H17B=>C5H11OD+C8H17OB 7.000E+12 0.000 -1000.0 C5H11OOD+IC8H17C=>C5H11OD+C8H17OC 7.000E+12 0.000 -1000.0 C5H11OOD+IC8H17D=>C5H11OD+C8H17OD 7.000E+12 0.000 -1000.0 C5H11OOD+CH3=>C5H11OD+CH3O 7.000E+12 0.000 -1000.0 C5H11OOD+CH3OO=>C5H11OD+CH3O+O2 1.400E+16 -1.610 1860.0 C5H11OD=CH2O+IC4H9 1.000E+11 0.000 11900.0 REV / 1.186E+01 2.229 854.3 / COC5H11OOHJ=>OH+IC3H7CHO+CH3CO 1.500E+16 0.000 42000.0 COC5H11OOHK=>OH+CH3COCH3+CH3COCH2 1.500E+16 0.000 42000.0 COC5H11OOHL=>OH+CH2O+C4H9QCOB 1.500E+16 0.000 42000.0 C4H10CCOC+H=>C5H11D+CO 4.400E+12 0.000 1459.0 C4H10CCOC+O=>C4H9CHOC+CO 3.200E+12 0.000 -437.0 C4H10CCOC+OH=>CO2+C5H11D 2.000E+12 0.000 -1010.0 COC5H11OOHM=>OH+CH2O+C4H9COC 1.500E+16 0.000 42000.0 SC4H9OO=>N2C4H8+HO2 6.000E+12 0.000 32670.0 SC4H9OO=>N1C4H8+HO2 9.000E+12 0.000 33420.0 SC4H9OO=C4H8OOHBC 1.600E+12 0.000 33610.0 REV / 2.565E+11 -0.074 23258.2 / SC4H9OO=C4H8OOHBD 3.000E+11 0.000 24950.0 REV / 5.460E+11 -0.378 12039.6 / SC4H9OO=C4H8OOHBA 2.400E+12 0.000 37420.0 REV / 4.368E+12 -0.378 24509.6 / NC7H16+SC4H9OO=NC7H15A+SC4H9OOH 1.210E+13 0.000 20430.0 REV / 1.104E+13 -0.379 7519.7 / NC7H16+SC4H9OO=NC7H15B+SC4H9OOH 8.060E+12 0.000 17700.0 REV / 5.813E+11 -0.059 7333.1 / NC7H16+SC4H9OO=NC7H15C+SC4H9OOH 8.060E+12 0.000 17700.0 REV / 5.813E+11 -0.059 7333.1 / NC7H16+SC4H9OO=NC7H15D+SC4H9OOH 4.030E+12 0.000 17700.0 REV / 5.819E+11 -0.059 7333.1 / IC8H18+SC4H9OO=IC8H17A+SC4H9OOH 1.815E+13 0.000 20430.0 REV / 1.100E+13 -0.378 7519.3 / IC8H18+SC4H9OO=IC8H17B+SC4H9OOH 4.030E+12 0.000 17700.0 REV / 5.909E+11 -0.061 7337.1 / IC8H18+SC4H9OO=IC8H17C+SC4H9OOH 2.000E+12 0.000 16000.0 REV / 1.158E+11 0.116 7475.4 / IC8H18+SC4H9OO=IC8H17D+SC4H9OOH 1.210E+13 0.000 20430.0 REV / 2.199E+13 -0.378 7519.3 / HO2+SC4H9OO=O2+SC4H9OOH 1.750E+10 0.000 -3275.0 REV / 6.682E+13 -0.774 37102.4 / H2O2+SC4H9OO=HO2+SC4H9OOH 2.400E+12 0.000 10000.0 REV / 3.443E+13 -0.318 9945.7 / SC4H9OO+NC7H15A=>SC4H9O+C7H15OA 7.000E+12 0.000 -1000.0 SC4H9OO+NC7H15B=>SC4H9O+C7H15OB 7.000E+12 0.000 -1000.0 SC4H9OO+NC7H15C=>SC4H9O+C7H15OC 7.000E+12 0.000 -1000.0 SC4H9OO+NC7H15D=>SC4H9O+C7H15OD 7.000E+12 0.000 -1000.0 SC4H9OO+IC8H17A=>SC4H9O+C8H17OA 7.000E+12 0.000 -1000.0 SC4H9OO+IC8H17B=>SC4H9O+C8H17OB 7.000E+12 0.000 -1000.0 SC4H9OO+IC8H17C=>SC4H9O+C8H17OC 7.000E+12 0.000 -1000.0 SC4H9OO+IC8H17D=>SC4H9O+C8H17OD 7.000E+12 0.000 -1000.0 SC4H9OO+CH3=>SC4H9O+CH3O 7.000E+12 0.000 -1000.0 SC4H9OO+CH3OO=>SC4H9O+CH3O+O2 1.400E+16 -1.610 1860.0 SC4H9O=C2H5CHO+CH3 1.000E+11 0.000 11900.0 REV / 4.536E+00 2.315 1673.0 / SC4H9O=CH3CHO+C2H5 1.000E+11 0.000 11900.0 REV / 3.017E-02 2.883 3729.2 / C5H10D+H=C5H9C+H2 5.000E+12 0.000 1100.0 REV / 4.022E+11 0.235 16218.4 / C5H10D+OH=C5H9C+H2O 1.110E+13 0.000 2319.0 REV / 1.350E+13 0.076 32956.3 / C5H10D+CH3=C5H9C+CH4 1.400E+11 0.000 8800.0 REV / 5.445E+12 -0.122 25367.3 / C5H10D+O=>IC3H6VCHO+CH3 7.100E+12 0.000 630.0 C6H12CYON+OH=H2O+C5H10D+HCO 4.680E+07 1.610 -1281.0 REV / 1.349E-09 5.048 21417.5 / C6H12CYON+HO2=H2O2+C5H10D+HCO 2.440E+12 0.000 15087.0 REV / 3.590E-03 2.864 7094.7 / C6H12CYON+OH=H2O+IC4H8+CH3CO 5.730E+10 0.510 -1137.0 REV / 5.348E-07 4.129 29484.0 / C6H12CYON+HO2=H2O2+IC4H8+CH3CO 2.160E+12 0.000 12500.0 REV / 1.029E-03 3.046 12430.2 / HOOC6H12OOS=>CHOC5H10OOHF+OH 2.500E+10 0.000 21400.0 HOOC6H12OOT=>CHOC5H10OOHG+OH 3.120E+09 0.000 19350.0 C6H12CYOO+OH=H2O+C5H10C+HCO 9.360E+07 1.610 -1281.0 REV / 7.657E-08 4.592 22872.0 / C6H12CYOO+HO2=H2O2+C5H10C+HCO 4.880E+12 0.000 15087.0 REV / 2.038E-01 2.408 8549.2 / HOOC6H12OOU=>CHOC5H10OOHH+OH 2.500E+10 0.000 21400.0 C5H11OOE=>C5H10D+HO2 6.000E+12 0.000 31090.0 C5H11OOE=>C5H10C+HO2 1.800E+13 0.000 31840.0 C5H11OOE=C5H10OOHL 1.600E+12 0.000 32510.0 REV / 1.361E+11 0.013 22065.8 / C5H11OOE=C5H10OOHM 3.000E+11 0.000 24200.0 REV / 4.966E+11 -0.365 11279.4 / C5H11OOE=C5H10OOHN 4.800E+12 0.000 36190.0 REV / 7.946E+12 -0.365 23269.4 / NC7H16+C5H11OOE=NC7H15A+C5H11OOHE 1.210E+13 0.000 20430.0 REV / 1.085E+13 -0.376 7516.5 / NC7H16+C5H11OOE=NC7H15B+C5H11OOHE 8.060E+12 0.000 17700.0 REV / 5.711E+11 -0.056 7329.9 / NC7H16+C5H11OOE=NC7H15C+C5H11OOHE 8.060E+12 0.000 17700.0 REV / 5.711E+11 -0.056 7329.9 / NC7H16+C5H11OOE=NC7H15D+C5H11OOHE 4.030E+12 0.000 17700.0 REV / 5.716E+11 -0.056 7329.9 / IC8H18+C5H11OOE=IC8H17A+C5H11OOHE 1.815E+13 0.000 20430.0 REV / 1.081E+13 -0.375 7516.1 / IC8H18+C5H11OOE=IC8H17B+C5H11OOHE 4.030E+12 0.000 17700.0 REV / 5.805E+11 -0.058 7333.9 / IC8H18+C5H11OOE=IC8H17C+C5H11OOHE 2.000E+12 0.000 16000.0 REV / 1.138E+11 0.119 7472.2 / IC8H18+C5H11OOE=IC8H17D+C5H11OOHE 1.210E+13 0.000 20430.0 REV / 2.160E+13 -0.375 7516.1 / HO2+C5H11OOE=O2+C5H11OOHE 1.750E+10 0.000 -3275.0 REV / 6.563E+13 -0.771 37099.2 / H2O2+C5H11OOE=HO2+C5H11OOHE 2.400E+12 0.000 10000.0 REV / 3.382E+13 -0.315 9942.5 / C5H11OOE+NC7H15A=>C5H11OE+C7H15OA 7.000E+12 0.000 -1000.0 C5H11OOE+NC7H15B=>C5H11OE+C7H15OB 7.000E+12 0.000 -1000.0 C5H11OOE+NC7H15C=>C5H11OE+C7H15OC 7.000E+12 0.000 -1000.0 C5H11OOE+NC7H15D=>C5H11OE+C7H15OD 7.000E+12 0.000 -1000.0 C5H11OOE+IC8H17A=>C5H11OE+C8H17OA 7.000E+12 0.000 -1000.0 C5H11OOE+IC8H17B=>C5H11OE+C8H17OB 7.000E+12 0.000 -1000.0 C5H11OOE+IC8H17C=>C5H11OE+C8H17OC 7.000E+12 0.000 -1000.0 C5H11OOE+IC8H17D=>C5H11OE+C8H17OD 7.000E+12 0.000 -1000.0 C5H11OOE+CH3=>C5H11OE+CH3O 7.000E+12 0.000 -1000.0 C5H11OOE+CH3OO=>C5H11OE+CH3O+O2 1.400E+16 -1.610 1860.0 C5H11OE=C2H5COCH3+CH3 2.000E+11 0.000 11900.0 REV / 1.114E+00 2.463 4535.6 / C5H11OE=CH3COCH3+C2H5 1.000E+11 0.000 11900.0 REV / 7.602E-03 3.023 6273.2 / CHOC5H10OOHD=>OH+C4H9CHOB+HCO 1.500E+16 0.000 42000.0 CHOC5H10OOHE=>OH+CH2O+C4H8QCHOB 1.500E+16 0.000 42000.0 C5H12CCOC+H=>C6H13E+CO 4.400E+12 0.000 1459.0 C5H12CCOC+O=>C5H11CHOB+CO 3.200E+12 0.000 -437.0 C5H12CCOC+OH=>CO2+C6H13E 2.000E+12 0.000 -1010.0 COC6H13OOHM=>OH+C4H9CHOB+CH3CO 1.500E+16 0.000 42000.0 COC6H13OOHN=>OH+CH2O+C5H11QCOB 1.500E+16 0.000 42000.0 COC6H13OOHO=>OH+CH2O+C5H11COB 1.500E+16 0.000 42000.0 C5H11OOF=>C5H10C+HO2 3.000E+12 0.000 47790.0 C5H11OOF=C5H10OOHO 8.000E+11 0.000 30280.0 REV / 2.765E+10 0.090 21766.4 / C5H11OOF=C5H10OOHP 2.000E+11 0.000 23000.0 REV / 1.471E+10 0.032 12533.0 / C5H11OOF=C5H10OOHQ 3.750E+10 0.000 24200.0 REV / 6.156E+10 -0.363 11277.9 / C5H11OOF=C5H10OOHR 3.000E+11 0.000 25300.0 REV / 4.925E+11 -0.363 12377.9 / NC7H16+C5H11OOF=NC7H15A+C5H11OOHF 1.210E+13 0.000 20430.0 REV / 9.815E+12 -0.362 7502.1 / NC7H16+C5H11OOF=NC7H15B+C5H11OOHF 8.060E+12 0.000 17700.0 REV / 5.166E+11 -0.043 7315.5 / NC7H16+C5H11OOF=NC7H15C+C5H11OOHF 8.060E+12 0.000 17700.0 REV / 5.166E+11 -0.043 7315.5 / NC7H16+C5H11OOF=NC7H15D+C5H11OOHF 4.030E+12 0.000 17700.0 REV / 5.171E+11 -0.043 7315.5 / IC8H18+C5H11OOF=IC8H17A+C5H11OOHF 1.815E+13 0.000 20430.0 REV / 9.775E+12 -0.362 7501.7 / IC8H18+C5H11OOF=IC8H17B+C5H11OOHF 4.030E+12 0.000 17700.0 REV / 5.251E+11 -0.045 7319.5 / IC8H18+C5H11OOF=IC8H17C+C5H11OOHF 2.000E+12 0.000 16000.0 REV / 1.029E+11 0.133 7457.8 / IC8H18+C5H11OOF=IC8H17D+C5H11OOHF 1.210E+13 0.000 20430.0 REV / 1.954E+13 -0.362 7501.7 / HO2+C5H11OOF=O2+C5H11OOHF 1.750E+10 0.000 -3275.0 REV / 5.937E+13 -0.758 37084.8 / H2O2+C5H11OOF=HO2+C5H11OOHF 2.400E+12 0.000 10000.0 REV / 3.059E+13 -0.302 9928.1 / C5H11OOF+NC7H15A=>C5H11OF+C7H15OA 7.000E+12 0.000 -1000.0 C5H11OOF+NC7H15B=>C5H11OF+C7H15OB 7.000E+12 0.000 -1000.0 C5H11OOF+NC7H15C=>C5H11OF+C7H15OC 7.000E+12 0.000 -1000.0 C5H11OOF+NC7H15D=>C5H11OF+C7H15OD 7.000E+12 0.000 -1000.0 C5H11OOF+IC8H17A=>C5H11OF+C8H17OA 7.000E+12 0.000 -1000.0 C5H11OOF+IC8H17B=>C5H11OF+C8H17OB 7.000E+12 0.000 -1000.0 C5H11OOF+IC8H17C=>C5H11OF+C8H17OC 7.000E+12 0.000 -1000.0 C5H11OOF+IC8H17D=>C5H11OF+C8H17OD 7.000E+12 0.000 -1000.0 C5H11OOF+CH3=>C5H11OF+CH3O 7.000E+12 0.000 -1000.0 C5H11OOF+CH3OO=>C5H11OF+CH3O+O2 1.400E+16 -1.610 1860.0 C5H11OF=CH2O+SC4H9 1.000E+11 0.000 11900.0 REV / 1.213E-01 2.641 1055.1 / C5H10E+H=C5H9D+H2 1.250E+12 0.000 800.0 REV / 2.871E+10 0.621 21072.3 / C5H10E+OH=C5H9D+H2O 2.750E+12 0.000 2000.0 REV / 9.551E+11 0.462 37791.2 / C5H10E+CH3=C5H9D+CH4 3.500E+10 0.000 8300.0 REV / 3.887E+11 0.265 30021.2 / C5H10E+O=>IC4H9+HCO 7.300E+12 0.000 1710.0 C5H10OOHI=>C5H10CYOG+OH 4.000E+13 0.000 14990.0 C5H10OOHI+O2=HOOC5H10OOI 1.000E+12 0.000 -1300.0 REV / 1.030E+22 -2.284 33845.1 / C5H10OOHJ=>IC4H8+CH2O+OH 5.000E+13 0.000 29500.0 C5H10OOHJ=>C5H10CYOH+OH 3.200E+12 0.000 23930.0 C5H10OOHJ+O2=HOOC5H10OOJ 1.000E+12 0.000 -1500.0 REV / 2.110E+22 -2.364 34116.1 / C5H10OOHK=>C5H10CYOI+OH 1.000E+12 0.000 17420.0 C5H10OOHK+O2=HOOC5H10OOK 1.000E+12 0.000 -830.0 REV / 3.945E+19 -1.647 32370.8 / C5H11OOHD=OH+C5H11OD 4.299E+21 -1.905 46252.2 REV / 1.000E+13 0.000 0.0 / C4H9QCOB=>C3H6+CH3CO 4.123E+18 -1.805 23182.5 C4H9QCOB+O2=>CH2CO+C3H6OOHBA 7.600E+02 1.629 -6350.0 N2C4H8+H=NC4H7A+H2 5.000E+12 0.000 1100.0 REV / 2.033E+11 0.233 16222.3 / N2C4H8+OH=NC4H7A+H2O 1.110E+13 0.000 2319.0 REV / 6.826E+12 0.074 32960.2 / N2C4H8+CH3=NC4H7A+CH4 1.400E+11 0.000 8800.0 REV / 2.753E+12 -0.123 25371.2 / N2C4H8+O=>CH3CHCHO+CH3 7.100E+12 0.000 630.0 C4H8OOHBC=>C4H8CYOBC+OH 4.000E+13 0.000 14990.0 C4H8OOHBC+O2=HOOC4H8OOBC 1.000E+12 0.000 -1300.0 REV / 4.493E+21 -2.174 33713.8 / C4H8OOHBD=>C2H4+CH3CHO+OH 5.000E+13 0.000 29500.0 C4H8OOHBD=>C4H8CYOAC+OH 1.580E+13 0.000 26120.0 C4H8OOHBD+O2=HOOC4H8OOBD 1.000E+12 0.000 -830.0 REV / 3.818E+19 -1.651 32335.2 / C4H8OOHBA=>C4H8CYOAB+OH 1.000E+14 0.000 16540.0 C4H8OOHBA+O2=HOOC4H8OOBA 1.000E+12 0.000 -830.0 REV / 3.818E+19 -1.651 32335.2 / SC4H9OOH=OH+SC4H9O 3.167E+21 -1.863 46209.5 REV / 1.000E+13 0.000 0.0 / CHOC5H10OOHF=>OH+CH3CHO+IC3H6VCHO 1.500E+16 0.000 42000.0 CHOC5H10OOHG=>OH+CH2O+C4H8QCHOA 1.500E+16 0.000 42000.0 CHOC5H10OOHH=>OH+CH2O+C4H8VCHOC 1.500E+16 0.000 42000.0 C5H10OOHL=>C5H10CYOJ+OH 4.000E+13 0.000 14990.0 C5H10OOHL+O2=HOOC5H10OOL 1.000E+12 0.000 -1300.0 REV / 6.585E+21 -2.211 33829.4 / C5H10OOHM=>C2H4+CH3COCH3+OH 5.000E+13 0.000 29500.0 C5H10OOHM=>C5H10CYOH+OH 1.580E+13 0.000 26120.0 C5H10OOHM+O2=HOOC5H10OOM 1.000E+12 0.000 -830.0 REV / 3.583E+19 -1.633 32364.3 / C5H10OOHN=>C5H10CYOK+OH 1.000E+14 0.000 16540.0 C5H10OOHN+O2=HOOC5H10OON 1.000E+12 0.000 -830.0 REV / 3.583E+19 -1.633 32364.3 / C5H11OOHE=OH+C5H11OE 4.227E+21 -1.903 46248.3 REV / 1.000E+13 0.000 0.0 / C2H5COCH3+H=C2H5COCH2+H2 2.800E+07 2.000 6200.0 REV / 9.894E+05 2.316 15350.4 / C2H5COCH3+OH=C2H5COCH2+H2O 5.250E+09 0.970 90.0 REV / 2.805E+09 1.128 24759.3 / C2H5COCH3+HO2=C2H5COCH2+H2O2 4.020E+12 0.000 17200.0 REV / 1.096E+14 -0.416 11178.5 / C2H5COCH3+H=CH3CHCOCH3+H2 9.100E+06 2.000 3500.0 REV / 1.381E+05 2.450 15229.2 / C2H5COCH3+OH=CH3CHCOCH3+H2O 4.680E+07 1.610 -1535.0 REV / 1.074E+07 1.901 25713.1 / C2H5COCH3+HO2=CH3CHCOCH3+H2O2 2.440E+12 0.000 14800.0 REV / 2.859E+13 -0.282 11357.3 / C2H5COCH3=>C2H5CO+CH3 5.346E+22 -1.875 85460.9 C2H5COCH3=>CH3CO+C2H5 6.765E+24 -2.481 80646.3 C4H8QCHOB=>IC4H8+HCO 7.875E+16 -1.324 27085.8 C4H8QCHOB+O2=>C4H8OOHTI+CO 3.100E+03 1.629 -6300.0 C5H11QCOB=>IC4H8+CH3CO 1.485E+18 -1.632 23845.9 C5H11QCOB+O2=>CH2CO+C4H8OOHTI 7.600E+02 1.629 -6350.0 C5H10OOHO=>C5H10CYOK+OH 8.000E+13 0.000 14530.0 C5H10OOHO+O2=HOOC5H10OOO 1.000E+12 0.000 -1500.0 REV / 4.219E+22 -2.364 34116.1 / C5H10OOHP=>N2C4H8+CH2O+OH 5.000E+13 0.000 29500.0 C5H10OOHP=>C5H10CYOL+OH 5.000E+12 0.000 25610.0 C5H10OOHP+O2=HOOC5H10OOP 1.000E+12 0.000 -1300.0 REV / 1.030E+22 -2.284 33845.1 / C5H10OOHQ=>C5H10CYOI+OH 1.000E+12 0.000 17420.0 C5H10OOHQ+O2=HOOC5H10OOQ 1.000E+12 0.000 -830.0 REV / 3.945E+19 -1.647 32370.8 / C5H10OOHR=>N1C4H8+CH2O+OH 5.000E+13 0.000 29500.0 C5H10OOHR=>C5H10CYOM+OH 1.580E+13 0.000 26120.0 C5H10OOHR+O2=HOOC5H10OOR 1.000E+12 0.000 -830.0 REV / 3.945E+19 -1.647 32370.8 / C5H11OOHF=OH+C5H11OF 4.299E+21 -1.905 46252.2 REV / 1.000E+13 0.000 0.0 / C5H9D+O2=>CH3COCH3+CH2CHO 4.570E+12 0.000 18800.0 C5H10CYOG+OH=H2O+C3H8CCOB+H 4.680E+07 1.610 -1281.0 REV / 3.793E+02 2.548 10283.3 / C5H10CYOG+HO2=H2O2+C3H8CCOB+H 2.440E+12 0.000 15087.0 REV / 1.009E+09 0.365 -4039.5 / C5H10CYOG+OH=H2O+CH2CO+IC3H7 5.730E+10 0.510 -1137.0 REV / 6.854E-05 3.764 21556.5 / C5H10CYOG+HO2=H2O2+CH2CO+IC3H7 2.160E+12 0.000 12500.0 REV / 1.319E-01 2.681 4502.7 / HOOC5H10OOI=>CHOC4H8OOHE+OH 2.000E+11 0.000 26400.0 C5H10CYOH+OH=H2O+IC4H8+HCO 4.680E+07 1.610 -1281.0 REV / 2.754E-07 4.516 19148.3 / C5H10CYOH+HO2=H2O2+IC4H8+HCO 2.440E+12 0.000 15087.0 REV / 7.329E-01 2.333 4825.5 / HOOC5H10OOJ=>CHOC4H8OOHF+OH 2.500E+10 0.000 21400.0 C5H10CYOI+OH=H2O+C3H6+CH2CHO 4.680E+07 1.610 -1281.0 REV / 3.205E-08 4.530 1526.7 / C5H10CYOI+HO2=H2O2+C3H6+CH2CHO 2.440E+12 0.000 15087.0 REV / 8.529E-02 2.347 -12796.1 / C5H10CYOI+OH=H2O+C2H4+CH3CHCHO 4.680E+07 1.610 -1281.0 REV / 2.424E-06 4.275 4527.1 / C5H10CYOI+HO2=H2O2+C2H4+CH3CHCHO 2.440E+12 0.000 15087.0 REV / 6.452E+00 2.092 -9795.7 / HOOC5H10OOK=>CHOC4H8OOHG+OH 3.120E+09 0.000 19350.0 C4H8CYOBC+OH=H2O+CH3CHCO+CH3 1.146E+11 0.510 -1137.0 REV / 6.246E-02 3.056 17810.3 / C4H8CYOBC+HO2=H2O2+CH3CHCO+CH3 4.320E+12 0.000 12500.0 REV / 1.202E+02 1.973 756.5 / HOOC4H8OOBC=>COC3H7OOHBC+OH 1.000E+11 0.000 23850.0 HOOC4H8OOBD=>COC3H7OOHBD+OH 1.250E+10 0.000 17850.0 HOOC4H8OOBA=>COC3H7OOHBA+OH 1.000E+11 0.000 23850.0 C4H8VCHOC=C3H8CCOC+H 2.378E+14 -0.108 40695.7 REV / 1.000E+13 0.000 2900.0 / C4H8VCHOC+O2=>C3H8CCOC+HO2 1.500E+06 1.629 5570.0 C4H8VCHOC+O2=>CO+C2H5COCH3+OH 4.900E+04 1.629 1570.0 C5H10CYOJ+OH=H2O+IC2H6CCO+CH3 5.730E+10 0.510 -1137.0 REV / 1.409E-02 3.121 16557.4 / C5H10CYOJ+HO2=H2O2+IC2H6CCO+CH3 2.160E+12 0.000 12500.0 REV / 2.710E+01 2.038 -496.4 / C5H10CYOK+OH=H2O+C3H8CCOC+H 4.680E+07 1.610 -1281.0 REV / 1.408E+02 2.545 9346.6 / C5H10CYOK+HO2=H2O2+C3H8CCOC+H 2.440E+12 0.000 15087.0 REV / 3.748E+08 0.362 -4976.2 / CH3CHCOCH3=CH3CHCO+CH3 6.554E+18 -1.512 44064.8 REV / 8.500E+10 0.000 10600.0 / CH3CHCOCH3+O2=>CH2CO+CH3CHO+OH 6.100E+03 1.629 -4430.0 HOOC5H10OOO=>CHOC4H8OOHH+OH 2.000E+11 0.000 26400.0 C5H10CYOL+OH=H2O+N2C4H8+HCO 4.680E+07 1.610 -1281.0 REV / 1.078E-07 4.670 20959.2 / C5H10CYOL+HO2=H2O2+N2C4H8+HCO 2.440E+12 0.000 15087.0 REV / 2.869E-01 2.487 6636.4 / C5H10CYOL+OH=H2O+C3H6+CH3CO 5.730E+10 0.510 -1137.0 REV / 1.077E-05 3.750 29025.9 / C5H10CYOL+HO2=H2O2+C3H6+CH3CO 2.160E+12 0.000 12500.0 REV / 2.073E-02 2.667 11972.1 / HOOC5H10OOP=>CHOC4H8OOHI+OH 2.500E+10 0.000 21400.0 HOOC5H10OOQ=>CHOC4H8OOHJ+OH 3.120E+09 0.000 19350.0 C5H10CYOM+OH=H2O+N1C4H8+HCO 9.360E+07 1.610 -1281.0 REV / 2.842E-06 4.224 22400.6 / C5H10CYOM+HO2=H2O2+N1C4H8+HCO 4.880E+12 0.000 15087.0 REV / 7.565E+00 2.041 8077.8 / HOOC5H10OOR=>CHOC4H8OOHK+OH 2.500E+10 0.000 21400.0 CHOC4H8OOHE=>OH+IC3H7CHO+HCO 1.500E+16 0.000 42000.0 CHOC4H8OOHF=>OH+CH3COCH3+CH2CHO 1.500E+16 0.000 42000.0 CHOC4H8OOHG=>OH+CH2O+C3H6QCHOB 1.500E+16 0.000 42000.0 COC3H7OOHBC=>OH+CH3CHO+CH3CO 1.500E+16 0.000 42000.0 COC3H7OOHBD=>OH+CH2O+CH3COCH2 1.500E+16 0.000 42000.0 COC3H7OOHBA=>OH+CH2O+C2H5CO 1.500E+16 0.000 42000.0 C3H8CCOC+H=>SC4H9+CO 4.400E+12 0.000 1459.0 C3H8CCOC+O=>C2H5COCH3+CO 3.200E+12 0.000 -437.0 C3H8CCOC+OH=>CO2+SC4H9 2.000E+12 0.000 -1010.0 CHOC4H8OOHH=>OH+C2H5COCH3+HCO 1.500E+16 0.000 42000.0 CHOC4H8OOHI=>OH+CH3CHO+CH3CHCHO 1.500E+16 0.000 42000.0 CHOC4H8OOHJ=>OH+CH2O+IC3H6QCHO 1.500E+16 0.000 42000.0 CHOC4H8OOHK=>OH+CH2O+C3H6VCHO 1.500E+16 0.000 42000.0 C3H6QCHOB=>C3H6+HCO 4.171E+17 -1.584 26523.2 C3H6QCHOB+O2=>C3H6OOHBA+CO 3.100E+03 1.629 -6300.0 IC3H6QCHO=>C3H6+HCO 4.330E+19 -1.994 28761.1 IC3H6QCHO+O2=>C3H6OOHAB+CO 3.100E+03 1.629 -6300.0 H+O2=O+OH 1.970E+14 0.000 16540.0 REV / 1.555E+13 0.000 425.0 / O+H2=H+OH 5.080E+04 2.670 6292.0 REV / 2.231E+04 2.670 4197.0 / O+H2O=OH+OH 2.970E+06 2.020 13400.0 REV / 3.013E+05 2.020 -3850.0 / OH+H2=H+H2O 2.160E+08 1.510 3430.0 REV / 9.352E+08 1.510 18580.0 / H2O2+OH=H2O+HO2 1.000E+12 0.000 0.0 DUPLICATE REV / 1.685E+11 0.330 31460.0 / H2O+M=H+OH+M 1.837E+27 -3.000 122600.0 REV / 2.250E+22 -2.000 0.0 / H2/2.5/ H2O/12/ CO/1.9/ CO2/3.8/ H+O2(+M)=HO2(+M) 1.475E+12 0.600 0.0 LOW / 3.500E+16 -0.410 -1116.0 / TROE / 0.5 1E-30 1E+30 1E+100 / H2/2.5/ H2O/12/ CO/1.9/ CO2/3.8/ HO2+O=OH+O2 3.250E+13 0.000 0.0 REV / 7.857E+14 -0.330 55390.0 / HO2+H=OH+OH 7.080E+13 0.000 300.0 REV / 1.352E+14 -0.330 39570.0 / HO2+H=H2+O2 1.660E+13 0.000 820.0 REV / 9.138E+14 -0.330 58300.0 / HO2+OH=H2O+O2 2.890E+13 0.000 -500.0 REV / 6.888E+15 -0.330 72140.0 / H2O2+O2=HO2+HO2 5.942E+17 -0.660 53150.0 DUPLICATE REV / 4.200E+14 0.000 11980.0 / OH+OH(+M)=H2O2(+M) 1.236E+14 -0.370 0.0 LOW / 3.041E+30 -4.630 2049.0 / TROE / 0.47 100 2000 1E+15 / H2/2.5/ H2O/12/ CO/1.9/ CO2/3.8/ H2O2+H=H2O+OH 2.410E+13 0.000 3970.0 REV / 7.750E+12 0.000 74710.0 / OH+M=O+H+M 3.909E+22 -2.000 105300.0 REV / 4.720E+18 -1.000 0.0 / H2/2.5/ H2O/12/ CO/1.9/ CO2/3.8/ O2+M=O+O+M 6.473E+20 -1.500 121500.0 REV / 6.170E+15 -0.500 0.0 / H2/2.5/ H2O/12/ CO/1.9/ CO2/3.8/ H2+M=H+H+M 4.570E+19 -1.400 104400.0 REV / 2.423E+15 -0.400 -3040.0 / H2/2.5/ H2O/12/ CO/1.9/ CO2/3.8/ H2O2+O=OH+HO2 9.550E+06 2.000 3970.0 REV / 2.541E+07 1.680 19850.0 / H2O2+H=H2+HO2 4.820E+13 0.000 7950.0 REV / 1.875E+12 0.330 24260.0 / H2O2+O2=HO2+HO2 1.839E+14 -0.660 39550.0 DUPLICATE REV / 1.300E+11 0.000 -1629.0 / H2O2+OH=H2O+HO2 5.800E+14 0.000 9560.0 DUPLICATE REV / 9.771E+13 0.330 41020.0 / CH3+H(+M)=CH4(+M) 2.138E+15 -0.400 0.0 LOW / 3.310E+30 -4.000 2108.0 / TROE / 0 1E-15 1E-15 40 / H2/2/ H2O/5/ CO/2/ CO2/3/ CH4+H=CH3+H2 1.727E+04 3.000 8224.0 REV / 6.610E+02 3.000 7744.0 / CH4+OH=CH3+H2O 1.930E+05 2.400 2106.0 REV / 4.820E+02 2.900 14860.0 / CH4+O=CH3+OH 2.130E+06 2.210 6480.0 REV / 3.557E+04 2.210 3920.0 / HCO+OH=CO+H2O 1.020E+14 0.000 0.0 REV / 2.896E+15 0.000 105200.0 / CO+OH=CO2+H 1.400E+05 1.950 -1347.0 REV / 1.568E+07 1.950 20990.0 / HCO+M=H+CO+M 1.860E+17 -1.000 17000.0 REV / 6.467E+13 0.000 -442.0 / CH3OH(+M)=CH3+OH(+M) 1.900E+16 0.000 91730.0 LOW / 2.950E+44 -7.350 95460.0 / TROE / 0.414 279 5459 1E+100 / H2/2/ H2O/16/ CO/2/ CO2/3/ CH3OH+HO2=CH2OH+H2O2 3.980E+13 0.000 19400.0 REV / 3.130E+15 -0.900 10750.0 / CH3+HO2=CH3O+OH 1.100E+13 0.000 0.0 REV / 4.780E+14 -0.350 24550.0 / CO+HO2=CO2+OH 3.010E+13 0.000 23000.0 REV / 6.435E+15 -0.330 84610.0 / CO+O(+M)=CO2(+M) 1.800E+10 0.000 2384.0 LOW / 1.350E+24 -2.788 4191.0 / H2/2.5/ H2O/12/ CO/1.9/ CO2/3.8/ CO+O2=CO2+O 1.068E-15 7.130 13320.0 REV / 9.444E-15 7.130 19540.0 / HCO+H=CO+H2 7.340E+13 0.000 0.0 REV / 4.813E+14 0.000 90000.0 / HCO+O=CO+OH 3.020E+13 0.000 0.0 REV / 8.697E+13 0.000 87900.0 / CH2O+M=HCO+H+M 6.283E+29 -3.570 93200.0 REV / 2.660E+24 -2.570 427.0 / CH2O+OH=HCO+H2O 3.430E+09 1.180 -447.0 REV / 1.186E+09 1.180 29380.0 / CH2O+H=HCO+H2 9.334E+08 1.500 2976.0 REV / 7.453E+07 1.500 17650.0 / CH2O+O=HCO+OH 4.160E+11 0.570 2762.0 REV / 1.459E+10 0.570 15340.0 / CH3+OH=CH2O+H2 2.250E+13 0.000 4300.0 REV / 6.756E+14 0.000 76030.0 / CH3+O=CH2O+H 8.000E+13 0.000 0.0 REV / 1.055E+15 0.000 69630.0 / CH3+O2=CH3O+O 1.995E+18 -1.570 29210.0 REV / 3.585E+18 -1.590 -1631.0 / CH2O+CH3=HCO+CH4 3.636E-06 5.420 998.0 REV / 7.584E-06 5.420 16150.0 / HCO+CH3=CH4+CO 1.210E+14 0.000 0.0 REV / 2.073E+16 0.000 90480.0 / CH3O(+M)=CH2O+H(+M) 5.450E+13 0.000 13500.0 LOW / 2.344E+25 -2.700 30600.0 / HCO+HO2=CH2O+O2 2.974E+10 0.330 -3861.0 REV / 2.050E+13 0.000 38950.0 / CH3O+O2=CH2O+HO2 5.500E+10 0.000 2424.0 REV / 1.318E+09 0.350 31390.0 / CH3+HO2=CH4+O2 3.600E+12 0.000 0.0 REV / 5.177E+15 -0.330 57960.0 / HCO+O2=CO+HO2 7.580E+12 0.000 410.0 REV / 9.029E+11 0.330 32930.0 / CH4+HO2=CH3+H2O2 3.420E+11 0.000 19290.0 REV / 3.365E+11 -0.330 2502.0 / CH2O+HO2=HCO+H2O2 5.820E-03 4.530 6557.0 REV / 1.194E-02 4.200 4921.0 / CH2+O2=CO+H2O 7.280E+19 -2.540 1809.0 REV / 8.508E+20 -2.540 179800.0 / CH2+O2=HCO+OH 1.290E+20 -3.300 284.0 REV / 5.310E+19 -3.300 73170.0 / CH2+O=>CO+H+H 5.000E+13 0.000 0.0 CH2+H=CH+H2 1.000E+18 -1.560 0.0 REV / 7.026E+17 -1.560 2990.0 / CH2+OH=CH+H2O 1.130E+07 2.000 3000.0 REV / 3.437E+07 2.000 21150.0 / CH2+O2=>CO2+H+H 3.290E+21 -3.300 2868.0 CH+O2=HCO+O 3.300E+13 0.000 0.0 REV / 4.402E+13 0.000 71990.0 / CH3OH+OH=CH2OH+H2O 7.100E+06 1.800 -596.0 REV / 3.293E+01 3.460 22720.0 / CH3OH+H=CH3O+H2 3.600E+12 0.000 6095.0 REV / 7.467E+12 -0.020 7825.0 / CH3OH+H=CH2OH+H2 1.440E+13 0.000 6095.0 REV / 1.543E+07 1.660 14250.0 / CH3OH+CH3=CH2OH+CH4 3.190E+01 3.170 7172.0 REV / 8.927E-04 4.830 15810.0 / CH3OH+O=CH2OH+OH 3.880E+05 2.500 3080.0 REV / 4.960E+03 2.500 8781.0 / CH2OH+O2=CH2O+HO2 3.810E+06 2.000 1641.0 REV / 1.768E+11 0.670 24180.0 / CH2OH(+M)=CH2O+H(+M) 2.800E+14 -0.730 32820.0 LOW / 6.010E+33 -5.390 36200.0 / TROE / 0.96 67.6 1855 7543 / CH2+O2=CH2O+O 3.290E+21 -3.300 2868.0 REV / 3.862E+22 -3.300 63180.0 / CH2+O2=CO2+H2 1.010E+21 -3.300 1508.0 REV / 3.054E+23 -3.300 186700.0 / CH3OH+CH2O=CH3O+CH3O 3.835E+13 0.050 84720.0 REV / 6.030E+13 0.000 0.0 / CH2O+CH3O=CH3OH+HCO 1.150E+11 0.000 1280.0 REV / 3.020E+11 0.000 18160.0 / CH4+CH3O=CH3+CH3OH 1.570E+11 0.000 8842.0 REV / 1.046E+09 0.000 50000.0 / CH3O+CH3OH=CH2OH+CH3OH 3.000E+11 0.000 4074.0 REV / 1.549E+05 1.680 10500.0 / CH3OH+OH=CH3O+H2O 1.000E+06 2.100 496.7 REV / 8.981E+06 2.080 17380.0 / CH2O+M=CO+H2+M 1.826E+32 -4.420 87120.0 REV / 5.070E+27 -3.420 84350.0 / HCO+O=CO2+H 3.000E+13 0.000 0.0 REV / 9.677E+15 0.000 110200.0 / CH3+M=CH2+H+M 1.968E+16 0.000 92520.0 REV / 2.107E+11 1.000 -19620.0 / CH3+H=CH2+H2 9.000E+13 0.000 15100.0 REV / 1.818E+13 0.000 10400.0 / CH3+OH=CH2+H2O 3.000E+06 2.000 2500.0 REV / 2.623E+06 2.000 12960.0 / CH3OH(+M)=CH2OH+H(+M) 2.690E+16 -0.080 98940.0 LOW / 2.340E+40 -6.330 103100.0 / TROE / 0.773 693 5333 1E+100 / CH2OH+CH2O=CH3OH+HCO 1.292E-01 4.560 6596.0 REV / 9.630E+03 2.900 13110.0 / CH3OO+M=CH3+O2+M 4.343E+27 -3.420 30470.0 REV / 5.440E+25 -3.300 0.0 / CH3OOH=CH3O+OH 6.310E+14 0.000 42300.0 REV / 1.166E+11 0.600 -1771.0 / CH3OO+CH2O=CH3OOH+HCO 1.990E+12 0.000 11670.0 REV / 8.504E+12 -0.500 7009.0 / CH4+CH3OO=CH3+CH3OOH 1.810E+11 0.000 18480.0 REV / 3.708E+11 -0.500 -1327.0 / CH3OH+CH3OO=CH2OH+CH3OOH 1.810E+12 0.000 13710.0 REV / 1.038E+08 1.160 2542.0 / CH3OO+CH3=CH3O+CH3O 7.000E+12 0.000 -1000.0 REV / 2.971E+16 -0.930 28310.0 / CH3OO+HO2=CH3OOH+O2 1.750E+10 0.000 -3275.0 REV / 5.156E+13 -0.830 34880.0 / CH3OO+CH3OO=>CH2O+CH3OH+O2 3.110E+14 -1.610 -1051.0 CH3OO+CH3OO=>O2+CH3O+CH3O 1.400E+16 -1.610 1860.0 CH3+OH=CH2(S)+H2O 2.650E+13 0.000 2186.0 REV / 3.236E+10 0.890 1211.0 / CH3OH+O2=CH2OH+HO2 2.050E+13 0.000 44900.0 REV / 3.989E+05 1.990 -4424.0 / CH3+O2=CH2O+OH 7.470E+11 0.000 14250.0 REV / 7.778E+11 0.000 67770.0 / CH2(S)+M=CH2+M 1.000E+13 0.000 0.0 REV / 7.161E+15 -0.890 11430.0 / CH2(S)+CH4=CH3+CH3 4.000E+13 0.000 0.0 REV / 5.429E+15 -0.890 15650.0 / CH2(S)+O2=>CO+OH+H 7.000E+13 0.000 0.0 CH2(S)+H2=CH3+H 7.000E+13 0.000 0.0 REV / 2.482E+17 -0.890 16130.0 / CH2(S)+H=CH+H2 3.000E+13 0.000 0.0 REV / 1.509E+16 -0.890 14420.0 / CH2(S)+O=>CO+H+H 3.000E+13 0.000 0.0 CH2(S)+OH=CH2O+H 3.000E+13 0.000 0.0 REV / 3.194E+18 -0.890 87860.0 / CH2(S)+CO2=CH2O+CO 3.000E+12 0.000 0.0 REV / 2.852E+15 -0.890 65520.0 / C2H6+CH3=C2H5+CH4 1.510E-07 6.000 6047.0 REV / 9.649E-10 6.560 10220.0 / C2H4+O=CH3+HCO 1.020E+07 1.880 179.0 REV / 2.851E+08 1.050 31770.0 / H+C2H4(+M)=C2H5(+M) 1.081E+12 0.450 1822.0 LOW / 1.112E+34 -5.000 4448.0 / TROE / 1 1E-15 95 200 / H2/2/ H2O/5/ CO/2/ CO2/3/ C2H6+H=C2H5+H2 5.540E+02 3.500 5167.0 REV / 1.355E-01 4.060 8857.0 / C2H5+O2=C2H4+HO2 1.220E+30 -5.760 10100.0 REV / 1.259E+30 -5.630 22310.0 / C2H6+OH=C2H5+H2O 5.125E+06 2.060 855.0 REV / 1.010E+07 2.060 22980.0 / C2H6+O=C2H5+OH 1.130E+14 0.000 7850.0 REV / 2.080E+13 0.000 12720.0 / CH3+CH3(+M)=C2H6(+M) 9.214E+16 -1.170 635.8 LOW / 1.135E+36 -5.246 1705.0 / TROE / 0.405 1120 69.6 1E+15 / H2/2/ H2O/5/ CO/2/ CO2/3/ C2H4(+M)=C2H2+H2(+M) 1.800E+13 0.000 76000.0 LOW / 1.500E+15 0.000 55443.0 / C2H3+H(+M)=C2H4(+M) 6.100E+12 0.270 280.0 LOW / 9.800E+29 -3.860 3320.0 / TROE / 0.782 208 2663 6095 / C2H2+H(+M)=C2H3(+M) 3.110E+11 0.580 2589.0 LOW / 2.254E+40 -7.269 6577.0 / TROE / 1 1E-15 675 1E+15 / H2/2/ H2O/5/ CO/2/ CO2/3/ C2H4+H=C2H3+H2 8.420E-03 4.620 2583.0 REV / 5.723E-01 3.790 3233.0 / C2H4+OH=C2H3+H2O 2.020E+13 0.000 5955.0 REV / 1.015E+13 0.000 20220.0 / C2H3+O2=C2H2+HO2 5.190E-15 -1.260 3310.0 DUPLICATE REV / 2.727E-16 -0.930 11400.0 / C2H2+M=C2H+H+M 4.200E+16 0.000 107000.0 REV / 7.130E+07 2.080 -28910.0 / C2H2+O2=HCCO+OH 2.000E+08 1.500 30100.0 REV / 2.232E+05 1.500 25400.0 / C2H2+OH=C2H+H2O 3.370E+07 2.000 14000.0 REV / 4.671E+03 3.080 685.0 / O+C2H2=C2H+OH 3.160E+15 -0.600 15000.0 REV / 4.443E+10 0.480 -15570.0 / C2H2+O=CH2+CO 6.120E+06 2.000 1900.0 REV / 1.152E+06 2.000 52570.0 / C2H+O2=HCO+CO 2.410E+12 0.000 0.0 REV / 1.328E+16 -1.080 154100.0 / C2H+O=CO+CH 1.810E+13 0.000 0.0 REV / 7.478E+16 -1.080 82130.0 / C2H3+O2=C2H2+HO2 2.120E-06 6.000 9484.0 DUPLICATE REV / 1.114E-07 6.330 17570.0 / C2H2+O=HCCO+H 1.430E+07 2.000 1900.0 REV / 2.021E+05 2.000 13310.0 / C2H2+OH=CH2CO+H 2.190E-04 4.500 -1000.0 REV / 2.161E-03 4.500 19670.0 / CH2CO+H=CH3+CO 1.100E+13 0.000 3400.0 REV / 2.400E+12 0.000 40200.0 / CH2CO+O=CH2+CO2 1.750E+12 0.000 1350.0 REV / 3.739E+12 0.000 53690.0 / CH2CO(+M)=CH2+CO(+M) 3.000E+14 0.000 70980.0 LOW / 3.600E+15 0.000 59270.0 / CH2CO+O=HCCO+OH 1.000E+13 0.000 8000.0 REV / 1.432E+10 0.000 -1255.0 / CH2CO+OH=HCCO+H2O 1.000E+13 0.000 2000.0 REV / 1.412E+11 0.000 9995.0 / CH2CO+H=HCCO+H2 2.000E+14 0.000 8000.0 REV / 6.522E+11 0.000 840.0 / HCCO+OH=HCO+HCO 1.000E+13 0.000 0.0 REV / 4.820E+13 0.000 40360.0 / HCCO+H=CH2(S)+CO 1.100E+14 0.000 0.0 REV / 6.660E+13 0.000 39260.0 / HCCO+O=>H+CO+CO 8.000E+13 0.000 0.0 C2H6+O2=C2H5+HO2 4.000E+13 0.000 50900.0 REV / 3.000E+11 0.000 0.0 / C2H6+HO2=C2H5+H2O2 1.700E+13 0.000 20460.0 REV / 1.069E+11 0.240 7842.0 / CH3+C2H3=CH4+C2H2 3.920E+11 0.000 0.0 REV / 2.962E+13 0.000 66050.0 / CH3+C2H5=CH4+C2H4 1.950E+13 -0.500 0.0 REV / 2.895E+16 -0.700 70170.0 / C2H6+CH3O=C2H5+CH3OH 3.000E+11 0.000 7000.0 REV / 1.714E+10 0.000 50000.0 / C2H3+H=C2H2+H2 2.000E+13 0.000 2500.0 REV / 1.331E+13 0.000 68080.0 / C2H5+H=CH3+CH3 3.610E+13 0.000 0.0 REV / 5.446E+16 -1.030 16980.0 / C2H3+O2=CH2O+HCO 1.700E+29 -5.310 6500.0 REV / 1.657E+29 -5.310 93050.0 / C2H6=C2H5+H 2.783E+21 -1.560 103800.0 REV / 3.610E+13 0.000 0.0 / C2H4+CH3=C2H3+CH4 6.620E+00 3.700 9500.0 REV / 1.440E+00 4.020 5472.0 / CH3CO(+M)=CH3+CO(+M) 3.000E+12 0.000 16720.0 LOW / 1.200E+15 0.000 12518.0 / CH3CHO=CH3+HCO 2.614E+15 0.150 80550.0 REV / 2.000E+13 0.000 0.0 / CH3CHO+O2=CH3CO+HO2 3.010E+13 0.000 39150.0 REV / 8.552E+10 0.320 -1940.0 / CH3CHO+OH=CH3CO+H2O 2.000E+06 1.800 1300.0 REV / 1.354E+06 1.790 32850.0 / CH3CHO+H=CH3CO+H2 1.340E+13 0.000 3300.0 REV / 2.096E+12 -0.010 19690.0 / CH3CHO+O=CH3CO+OH 5.940E+12 0.000 1868.0 REV / 4.080E+11 -0.010 16170.0 / CH3CHO+HO2=CH3CO+H2O2 3.010E+12 0.000 11930.0 REV / 1.210E+13 -0.340 12010.0 / CH3CHO+CH3=CH3CO+CH4 2.608E+06 1.780 5911.0 REV / 1.066E+07 1.770 22790.0 / C2H4+O2=C2H3+HO2 4.000E+13 0.000 58200.0 REV / 4.939E+13 -0.500 1368.0 / C2H4+CH3O=C2H3+CH3OH 1.200E+11 0.000 6750.0 REV / 1.000E+10 0.000 9000.0 / CH+CH4=C2H4+H 6.000E+13 0.000 0.0 REV / 3.573E+14 0.000 55480.0 / CH3CO+H=CH2CO+H2 2.000E+13 0.000 0.0 REV / 7.270E+09 0.000 83040.0 / CH3CO+O=CH2CO+OH 2.000E+13 0.000 0.0 REV / 7.270E+09 0.000 83040.0 / CH3CO+CH3=CH2CO+CH4 5.000E+13 0.000 0.0 REV / 7.270E+09 0.000 83040.0 / C2H4+O=CH2CHO+H 3.390E+06 1.880 179.0 REV / 9.481E+06 1.790 16050.0 / C2H5+O=>CH3+CH2O 5.000E+13 0.000 0.0 C2H5O+M=CH3+CH2O+M 1.350E+38 -6.960 23800.0 REV / 6.442E+36 -6.990 16850.0 / C2H5O+O2=CH3CHO+HO2 4.280E+10 0.000 1097.0 REV / 3.872E+08 0.440 31880.0 / C2H3+O2=CH2CHO+O 3.500E+14 -0.610 5260.0 REV / 2.589E+12 0.120 6459.0 / C2H5OO=C2H5+O2 4.930E+50 -11.500 42250.0 REV / 1.090E+48 -11.540 10220.0 / C2H5OOH=C2H5O+OH 6.310E+14 0.000 42300.0 REV / 8.314E+06 1.700 -3207.0 / C2H5OO+CH2O=C2H5OOH+HCO 1.990E+12 0.000 11670.0 REV / 8.422E+12 -0.510 6605.0 / C2H4+CH3OO=C2H3+CH3OOH 1.130E+13 0.000 30430.0 REV / 3.000E+12 0.000 11500.0 / CH4+C2H5OO=CH3+C2H5OOH 1.810E+11 0.000 18480.0 REV / 3.673E+11 -0.510 -1731.0 / CH3OH+C2H5OO=CH2OH+C2H5OOH 1.810E+12 0.000 13710.0 REV / 1.028E+08 1.150 2138.0 / C2H5+HO2=C2H5O+OH 3.200E+13 0.000 0.0 REV / 3.075E+15 -0.320 27490.0 / CH3OO+C2H5=CH3O+C2H5O 7.000E+12 0.000 -1000.0 REV / 6.569E+16 -0.900 31260.0 / C2H5OO+HO2=C2H5OOH+O2 1.750E+10 0.000 -3275.0 REV / 5.106E+13 -0.830 34480.0 / C2H6+CH3OO=C2H5+CH3OOH 1.700E+13 0.000 20460.0 REV / 7.500E+11 0.000 1280.0 / C2H6+C2H5OO=C2H5+C2H5OOH 1.700E+13 0.000 20460.0 REV / 7.500E+11 0.000 1280.0 / C2H5OO=C2H4OOH 5.640E+47 -11.440 37320.0 REV / 6.990E+48 -12.220 25850.0 / C2H4OOH=>C2H4CYO+OH 4.250E+22 -4.180 22350.0 CH3C(O)OO=CH3CO+O2 4.625E+19 -1.900 39560.0 REV / 1.200E+11 0.000 -1100.0 / CH3CO2+M=CH3+CO2+M 4.400E+15 0.000 10500.0 REV / 9.648E+12 0.200 21040.0 / CH3C(O)OOH=CH3CO2+OH 5.010E+14 0.000 40150.0 REV / 1.738E+08 1.570 1305.0 / CH3C(O)OO+HO2=CH3C(O)OOH+O2 1.750E+10 0.000 -3275.0 REV / 4.093E+12 -0.330 39040.0 / C2H5O+M=CH3CHO+H+M 1.160E+35 -5.890 25270.0 REV / 3.063E+30 -4.780 6100.0 / H2O2+CH3C(O)OO=HO2+CH3C(O)OOH 2.410E+12 0.000 9936.0 REV / 3.984E+11 0.320 11070.0 / CH4+CH3C(O)OO=CH3+CH3C(O)OOH 1.810E+11 0.000 18480.0 REV / 2.944E+10 0.000 2831.0 / C2H6+CH3C(O)OO=C2H5+CH3C(O)OOH 1.700E+13 0.000 20460.0 REV / 1.767E+10 0.560 8980.0 / CH2O+CH3C(O)OO=HCO+CH3C(O)OOH 1.990E+12 0.000 11670.0 REV / 6.752E+11 0.000 11170.0 / CH3OO+CH3CHO=CH3OOH+CH3CO 3.010E+12 0.000 11930.0 REV / 2.519E+13 -0.510 8991.0 / CH3CHO+CH3C(O)OO=CH3CO+CH3C(O)OOH 3.010E+12 0.000 11930.0 REV / 2.000E+12 -0.020 13150.0 / C2H4OOH=C2H4+HO2 9.290E+30 -6.100 19930.0 REV / 1.906E+27 -4.960 14510.0 / C2H4+CH3OO=>C2H4CYO+CH3O 2.820E+12 0.000 17110.0 C2H4+C2H5OO=>C2H4CYO+C2H5O 2.820E+12 0.000 17110.0 C2H4CYO=CH3+HCO 3.630E+13 0.000 57200.0 REV / 4.818E+09 0.020 2122.0 / C2H4CYO=CH3CHO 7.407E+12 0.000 53800.0 REV / 1.285E+11 0.160 79270.0 / C2H4CYO+OH=CH2CHO+H2O 1.780E+13 0.000 3610.0 REV / 1.195E+12 0.160 26950.0 / C2H4CYO+H=CH2CHO+H2 8.000E+13 0.000 9680.0 REV / 1.240E+12 0.160 17860.0 / C2H4CYO+HO2=CH2CHO+H2O2 1.130E+13 0.000 30430.0 REV / 4.502E+12 -0.170 22300.0 / C2H4CYO+CH3OO=CH2CHO+CH3OOH 1.130E+13 0.000 30430.0 REV / 9.376E+12 -0.340 19280.0 / C2H4CYO+CH3=CH2CHO+CH4 1.070E+12 0.000 11830.0 REV / 4.334E+11 0.160 20490.0 / C2H4CYO+CH3O=CH2CHO+CH3OH 1.200E+11 0.000 6750.0 REV / 8.969E+08 0.190 13200.0 / C2H5OO=C2H4+HO2 3.370E+55 -13.420 44670.0 REV / 1.392E+49 -12.100 21620.0 / C2H4OOH=C2H5+O2 2.150E+37 -8.210 28020.0 REV / 2.420E+35 -8.030 8312.0 / CH2CHO=CH2CO+H 3.094E+15 -0.260 50820.0 REV / 5.000E+13 0.000 12300.0 / CH2CHO+O2=>CH2O+CO+OH 2.000E+13 0.000 4200.0 HCCO+O2=CO2+HCO 2.400E+11 0.000 -854.0 REV / 1.474E+14 0.000 133600.0 / CH2CO+OH=CH2OH+CO 3.730E+12 0.000 -1013.0 REV / 9.430E+06 1.660 27490.0 / C2H4+H2=CH3+CH3 3.767E+12 0.830 84710.0 REV / 1.000E+14 0.000 32000.0 / C2H4+HO2=C2H4CYO+OH 2.230E+12 0.000 17190.0 REV / 1.082E+14 -0.170 37790.0 / CH2(S)+C2H6=CH3+C2H5 1.200E+14 0.000 0.0 REV / 1.041E+14 -0.330 19820.0 / CH2(S)+CH3=C2H4+H 2.000E+13 0.000 0.0 REV / 2.671E+15 -0.060 68840.0 / CH2(S)+CH2CO=C2H4+CO 1.600E+14 0.000 0.0 REV / 4.596E+15 -0.060 105600.0 / ! ! ! ! ! ! ! !ETBE REACTIONS ! ! ! ! ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! UNIMOLECULAR DECOMPOSITION REACTIONS ! TC4H9+C2H5O=ETBE 2.750E+13 0.000 0.0! REF:(1) TC4H9O+C2H5=ETBE 2.000E+13 0.000 0.0! REF:(1) CM2OC2H5+CH3=ETBE 3.000E+13 0.000 0.0! REF:KUCRS CM3OCH2+CH3=ETBE 1.000E+13 0.000 0.0! REF:KUCRS ! ETBE=IC4H8+C2H5OH 1.600E+14 0.000 59990.0! REF:(2) ! ! TC4H9+C2H5O=ETBE 1.380E+52 -10.90 96640.0! REF:? ! TC4H9+C2H5O=ETBE 0.500E+17 0.000 78000.0! REF:GOLDANIGA ET AL. ! TC4H9O+C2H5=ETBE 0.500E+17 0.000 81000.0! REF:GOLDANIGA ET AL. ! CM2OC2H5+CH3=ETBE 1.500E+17 0.000 84000.0! REF:GOLDANIGA ET AL. ! CM3OCH2+CH3=ETBE 0.500E+17 0.000 84000.0! REF:GOLDANIGA ET AL. ETBE=IC4H8+C2H5OH 1.1400E+12 0.000 59990.0! REF:DALY AND WENTRUP IN(2) DUP ETBE=IC4H8+C2H5OH 3.3000E+02 0.000 10000.0! REF:WALL REACTION IN(2) DUP C2H5OH(+M)=CH2OH+CH3(+M) 5.940E+23 -1.680 91163.0! REF:(3) LOW / 2.880E+85 -18.900 109914.0 / TROE / 0.5 200 890 4600 / H2/2/ H2O/5/ CO/2/ CO2/3/ C2H5OH(+M)=C2H5+OH(+M) 1.250E+23 -1.540 96005.0! REF:(3) LOW / 3.250E+85 -18.810 114930.0 / TROE / 0.5 300 900 5000 / H2/2/ H2O/5/ CO/2/ CO2/3/ C2H5OH(+M)=C2H4+H2O(+M) 2.790E+13 0.090 66136.0! REF:(3) LOW / 2.570E+83 -18.850 86452.0 / TROE / 0.7 350 800 3800 / H2O/5/ C2H5OH(+M)=CH3CHO+H2(+M) 7.240E+11 0.095 91007.0! REF:(3) LOW / 4.460E+87 -19.420 115586.0 / TROE / 0.9 900 1100 3500 / H2O/5/ ! ! H ATOM ABSTRACTION REACTIONS ! ETBE+H=ETBEA+H2 4.560E+05 2.760 7200.0! REF:KUCRS ETBE+OH=ETBEA+H2O 2.649E+07 1.800 855.0! REF:KUCRS ! ETBE+OH=ETBEA+H2O 1.090E+14 0.000 4520.0!TEMP K(700-1000KFIT) ETBE+O=ETBEA+OH 6.060E+04 2.780 3380.0! REF:KUCRS ETBE+CH3=ETBEA+CH4 9.690E-08 5.970 5480.0! REF:KUCRS ETBE+HO2=ETBEA+H2O2 2.520E+13 0.000 20440.0! REF:KUCRS ETBE+O2=ETBEA+HO2 6.300E+13 0.000 50760.0! REF:KUCRS ! !------------------------------------------------------------------------------------------- !MODIFIED BY OGURA FROM QUANTUM CALCULATION ! ! ETBE+H=ETBEB+H2 5.740E+05 2.490 4124.0! REF:KUCRS ! ETBE+OH=ETBEB+H2O 9.000E+05 2.000 -1133.0! REF:KUCRS ! ETBE+O=ETBEB+OH 4.770E+04 2.710 2106.0! REF:KUCRS ! ETBE+CH3=ETBEB+CH4 2.710E+04 2.260 7287.0! REF:KUCRS ! ETBE+HO2=ETBEB+H2O2 5.600E+12 0.000 17690.0! REF:KUCRS ! ETBE+O2=ETBEB+HO2 1.400E+13 0.000 48210.0! REF:KUCRS ! ETBE+H=ETBEB+H2 2.520E+14 0.000 7300.0! REF:KUCRS ETBE+OH=ETBEB+H2O 1.150E+11 0.510 63.0! REF:KUCRS ! ETBE+OH=ETBEB+H2O 1.260E+13 0.000 3220.0!TEMP K(700-1000KFIT) ETBE+O=ETBEB+OH 7.660E+05 2.410 1140.0! REF:KUCRS ETBE+CH3=ETBEB+CH4 1.790E+04 2.330 6147.0! REF:KUCRS ETBE+HO2=ETBEB+H2O2 4.320E+12 0.000 14400.0! REF:KUCRS ETBE+O2=ETBEB+HO2 4.000E+13 0.000 41300.0! REF:KUCRS !------------------------------------------------------------------------------------------------- ETBE+H=ETBEC+H2 1.520E+05 2.760 7200.0! REF:KUCRS ETBE+OH=ETBEC+H2O 8.830E+06 1.800 855.0! REF:KUCRS ! ETBE+OH=ETBEC+H2O 7.320E+13 0.000 4920.0!TEMP K(700-1000KFIT) ETBE+O=ETBEC+OH 2.020E+04 2.780 3380.0! REF:KUCRS ETBE+CH3=ETBEC+CH4 3.230E-08 5.970 5480.0! REF:KUCRS ETBE+HO2=ETBEC+H2O2 8.400E+12 0.000 20440.0! REF:KUCRS ETBE+O2=ETBEC+HO2 2.100E+13 0.000 50760.0! REF:KUCRS ! C2H5OH+H=CH2CH2OH+H2 1.230E+07 1.800 5098.0! REF:(3) ! ! C2H5OH+OH=CH2CH2OH+H2O 1.740E+11 0.270 600.0! REF:(3) C2H5OH+OH=CH2CH2OH+H2O 5.60E+06 1.800 -546.0! REF:BOTT AND COHEN ! C2H5OH+OH=CH2CH2OH+H2O 3.600E+06 2.000 451.0! REF:NORTON AND DRYER ! REV /1.060E+03 3.150 23540.0/ ! C2H5OH+O=CH2CH2OH+OH 9.410E+07 1.700 5459.0! REF:(3) C2H5OH+CH3=CH2CH2OH+CH4 2.190E+02 3.180 9622.0! REF:(3) C2H5OH+HO2=CH2CH2OH+H2O2 1.230E+04 2.550 15750.0! REF:(3) ! ! C2H5OH+H=CH3CHOH+H2 2.580E+07 1.650 2827.0! REF:(3) ! C2H5OH+OH=CH3CHOH+H2O 4.640E+11 0.150 0.0! REF:(3) C2H5OH+OH=CH3CHOH+H2O 3.000E+05 2.200 -1709.0! REF:BOTT AND COHEN ! C2H5OH+OH=CH3CHOH+H2O 2.600E+06 2.000 -1373.0! REF:NORTON AND DRYER ! REV /4.950E+04 2.500 24410.0/ ! ! C2H5OH+O=CH3CHOH+OH 1.880E+07 1.850 1824.0! REF:(3) C2H5OH+CH3=CH3CHOH+CH4 7.280E+02 2.990 7948.0! REF:(3) C2H5OH+HO2=CH3CHOH+H2O2 8.200E+03 2.550 10750.0! REF:(3) ! ! C2H5OH+H=C2H5O+H2 1.500E+07 1.600 3038.0! REF:(3) ! C2H5OH+OH=C2H5O+H2O 7.460E+11 0.300 1634.0! REF:(3) C2H5OH+OH=C2H5O+H2O 3.400E+06 1.900 507.0! REF:BOTT AND COHEN ! C2H5OH+OH=C2H5O+H2O 1.960E+06 2.000 0.0! REF:NORTON AND DRYER ! REV /6.020E+03 3.010 14340.0/ ! ! C2H5OH+O=C2H5O+OH 1.580E+07 2.000 4448.0! REF:(3) C2H5OH+CH3=C2H5O+CH4 1.450E+02 2.990 7649.0! REF:(3) C2H5OH+HO2=C2H5O+H2O2 2.500E+12 0.000 24000.0! REF:(3) ! !ALKYL TYPE RADICAL REACTIONS ! CH2CMOC2H5+CH3=ETBEA 1.700E+11 0.000 10600.0! REF:KUCRS ETBEA=IC4H8+C2H5O 2.000E+13 0.000 26050.0! REF:(2) ETBEA=ETBEB 2.540E+09 0.350 19040.0! REF:KUCRS ETBEA=ETBEC 6.420E+11 -1.050 12740.0! REF:KUCRS REV / 1.925E+12 -1.050 12740.0 / ! ETBEA+O2=ETBEOOA 1.000E+12 0.000 -830.0! REF:KUCRS ! ETBEB=TC4H9+CH3CHO 2.000E+13 0.000 23090.0! REF:(2) !------------------------------------------------------------------------------------------------ !MODIFIED BY OGURA FROM RRKM CALCULATION ! ! ETBEB+O2=ETBEOOB 1.000E+12 0.000 -1300.0! REF:KUCRS ETBEB+O2=ETBEOOB 3.790E+09 0.000 -10220.0 REV/ 8.910E+11 0.000 20140.0 / !------------------------------------------------------------------------------------------------- ! ETBEC=TC4H9O+C2H4 2.000E+13 0.000 26050.0! REF:(2) ETBEC+O2=ETBEOOC 1.000E+12 0.000 -830.0! REF:KUCRS ! CM2OC2H5=CH3COCH3+C2H5 2.000E+13 0.000 23090.0! REF:(2) CM2OC2H5+O2=COOM2OC2H5 1.000E+12 0.000 -1500.0! REF:KUCRS ! CM3OCH2=TC4H9+CH2O 2.000E+13 0.000 23090.0! REF:(2) CM3OCH2+O2=CM3OCH2OO 1.000E+12 0.000 -830.0! REF:KUCRS ! CH2CH2OH=C2H4+OH 6.190E+11 0.000 23650.0! REF:(4) CH2CH2OH+O2=CH2OOCH2OH 1.000E+12 0.000 -1100.0! REF:(3) CH2OOCH2OH=CH2O+CH2O+OH 6.000E+10 0.000 24500.0! REF:(3) ! CH3CHOH+M=CH3CHO+H+M 1.000E+14 0.000 25000.0! REF:(3) CH3CHOH+O2=CH3CHO+HO2 4.820E+14 0.000 5017.0! REF:(3) DUPLICATE CH3CHOH+O2=CH3CHO+HO2 8.430E+15 -1.200 0.0! REF:(3) DUPLICATE CH3CHOH+CH3=C3H6+H2O 2.000E+13 0.000 0.0! REF:(3) CH3CHOH+O=CH3CHO+OH 1.000E+14 0.000 0.0! REF:(3) CH3CHOH+H=CH3+CH2OH 3.000E+13 0.000 0.0! REF:(3) CH3CHOH+H=C2H4+H2O 3.000E+13 0.000 0.0! REF:(3) CH3CHOH+HO2=CH3CHO+OH+OH 4.000E+13 0.000 0.0! REF:(3) CH3CHOH+OH=CH3CHO+H2O 5.000E+12 0.000 0.0! REF:(3) ! !ALKYLPEROXY TYPE RADICAL REACTIONS ! ETBEOOA=ETBEOOHB 2.500E+10 0.000 22100.0! REF:KUCRS ! ETBEOOA=ETBEOOHB 2.500E+10 0.000 17100.0! REF:KUCRS AND QUANTUM CALCULATION ETBEOOA+ETBEA=>ETBEOA+ETBEOA 7.000E+12 0.000 -1000.0! REF:KUCRS ETBEOOA+ETBEB=>ETBEOA+ETBEOB 7.000E+12 0.000 -1000.0! REF:KUCRS ETBEOOA+ETBEC=>ETBEOA+ETBEOC 7.000E+12 0.000 -1000.0! REF:KUCRS ETBEOOA+CH3=>ETBEOA+CH3O 7.000E+12 0.000 -1000.0! REF:KUCRS ETBEOOA+ETBEOOA=>ETBEOA+ETBEOA+O2 1.400E+16 -1.610 1860.0! REF:KUCRS ETBEOOA+ETBEOOB=>ETBEOA+ETBEOB+O2 1.400E+16 -1.610 1860.0! REF:KUCRS ETBEOOA+ETBEOOC=>ETBEOA+ETBEOC+O2 1.400E+16 -1.610 1860.0! REF:KUCRS ETBEOOA+CH3OO=>ETBEOA+CH3O+O2 1.400E+16 -1.610 1860.0! REF:KUCRS ETBEOA=CH2O+CM2OC2H5 1.000E+11 0.000 11900.0! REF:KUCRS ! !------------------------------------------------------------------------------------------------ !MODIFIED BY OGURA FROM RRKM CALCULATION ! ! ETBEOOB=>CM3OC2H3+HO2 9.000E+12 0.000 58060.0! REF:KUCRS ETBEOOB=>CM3OC2H3+HO2 3.420E+08 0.000 16950.0 ! ETBEOOB=ETBEOOHC 1.125E+11 0.000 23880.0! REF:KUCRS ETBEOOB=ETBEOOHC 3.630E+07 0.000 13870.0 ! ETBEOOB=ETBEOOHD 2.400E+12 0.000 37420.0! REF:KUCRS ETBEOOB=ETBEOOHD 1.630E+06 0.000 18920.0 !------------------------------------------------------------------------------------------------- ETBEOOB+ETBEA=>ETBEOB+ETBEOA 7.000E+12 0.000 -1000.0! REF:KUCRS ETBEOOB+ETBEB=>ETBEOB+ETBEOB 7.000E+12 0.000 -1000.0! REF:KUCRS ETBEOOB+ETBEC=>ETBEOB+ETBEOC 7.000E+12 0.000 -1000.0! REF:KUCRS ETBEOOB+CH3=>ETBEOB+CH3O 7.000E+12 0.000 -1000.0! REF:KUCRS ETBEOOB+ETBEOOB=>ETBEOB+ETBEOB+O2 1.400E+16 -1.610 1860.0! REF:KUCRS ETBEOOB+ETBEOOC=>ETBEOB+ETBEOC+O2 1.400E+16 -1.610 1860.0! REF:KUCRS ETBEOOB+CH3OO=>ETBEOB+CH3O+O2 1.400E+16 -1.610 1860.0! REF:KUCRS ETBEOB=CH3CHO+TC4H9O 1.000E+11 0.000 11900.0! REF:KUCRS(?) ! ETBEOOC=>CM3OC2H3+HO2 6.000E+12 0.000 33080.0! REF:KUCRS ! ETBEOOC=ETBEOOHE 1.600E+12 0.000 34140.0! REF:KUCRS ETBEOOC=ETBEOOHE 1.600E+12 0.000 32140.0! REF:KUCRS AND QUANTUM CALCULATION ETBEOOC+ETBEA=>ETBEOC+ETBEOA 7.000E+12 0.000 -1000.0! REF:KUCRS ETBEOOC+ETBEB=>ETBEOC+ETBEOB 7.000E+12 0.000 -1000.0! REF:KUCRS ETBEOOC+ETBEC=>ETBEOC+ETBEOC 7.000E+12 0.000 -1000.0! REF:KUCRS ETBEOOC+CH3=>ETBEOB+CH3O 7.000E+12 0.000 -1000.0! REF:KUCRS ETBEOOC+ETBEOOC=>ETBEOC+ETBEOC+O2 1.400E+16 -1.610 1860.0! REF:KUCRS ETBEOOC+CH3OO=>ETBEOB+CH3O+O2 1.400E+16 -1.610 1860.0! REF:KUCRS ETBEOC=CH2O+CM3OCH2 1.000E+11 0.000 11900.0! REF:KUCRS ! COOM2OC2H5=>CH2CMOC2H5+HO2 1.800E+13 0.000 38560.0! REF:KUCRS COOM2OC2H5=CH2CMOOHOC2H5 4.800E+12 0.000 36190.0! REF:KUCRS COOM2OC2H5=COOHM2OCHCH3 2.000E+11 0.000 22000.0! REF:KUCRS COOM2OC2H5=COOHM2OCH2CH2 3.750E+10 0.000 23200.0! REF:KUCRS COOM2OC2H5+ETBEA=>COM2OC2H5+ETBEOA 7.000E+12 0.000 -1000.0! REF:KUCRS COOM2OC2H5+ETBEB=>COM2OC2H5+ETBEOB 7.000E+12 0.000 -1000.0! REF:KUCRS COOM2OC2H5+ETBEC=>COM2OC2H5+ETBEOC 7.000E+12 0.000 -1000.0! REF:KUCRS COOM2OC2H5+CH3=>COM2OC2H5+CH3O 7.000E+12 0.000 -1000.0! REF:KUCRS COOM2OC2H5+CH3OO=>COM2OC2H5+CH3O+O2 1.400E+16 -1.610 1860.0! REF:KUCRS COM2OC2H5=CH3COCH3+C2H5O 1.000E+11 0.000 11900.0! REF:KUCRS(?) ! CM3OCH2OO=CH2CM2OCH2OOH 1.125E+11 0.000 23880.0! REF:KUCRS CM3OCH2OO+ETBEA=>CM3OCH2O+ETBEOA 7.000E+12 0.000 -1000.0! REF:KUCRS CM3OCH2OO+ETBEB=>CM3OCH2O+ETBEOB 7.000E+12 0.000 -1000.0! REF:KUCRS CM3OCH2OO+ETBEC=>CM3OCH2O+ETBEOC 7.000E+12 0.000 -1000.0! REF:KUCRS CM3OCH2OO+CH3=>CM3OCH2O+CH3O 7.000E+12 0.000 -1000.0! REF:KUCRS CM3OCH2OO+CH3OO=>CM3OCH2O+CH3O+O2 1.400E+16 -1.610 1860.0! REF:KUCRS CM3OCH2O=CH2O+TC4H9O 1.000E+11 0.000 11900.0! REF:KUCRS(?) ! !ALKYLHYDROPEROXY TYPE RADICAL REACTIONS ! ETBEOOHA=>CH2CMOC2H5+CH2O+OH 5.000E+13 0.000 29500.0! REF:KUCRS ETBEOOHA=>ETBECYOA+OH 1.580E+13 0.000 26120.0! REF:KUCRS ETBEOOHA+O2=HOOETBEOOA 1.000E+12 0.000 -830.0! REF:KUCRS ! ETBEOOHB=>ETBECYOB+OH 1.260E+12 0.000 17320.0! REF:KUCRS ETBEOOHB+O2=HOOETBEOOB 1.000E+12 0.000 -1300.0! REF:KUCRS ! ETBEOOHC=>ETBECYOB+OH 1.000E+12 0.000 17420.0! REF:KUCRS ETBEOOHC+O2=HOOETBEOOC 1.000E+12 0.000 -830.0! REF:KUCRS ! ETBEOOHD=>ETBECYOC+OH 1.000E+14 0.000 16540.0! REF:KUCRS ETBEOOHD+O2=HOOETBEOOD 1.000E+12 0.000 -830.0! REF:KUCRS ! ETBEOOHE=>ETBECYOC+OH 4.000E+13 0.000 14990.0! REF:KUCRS ETBEOOHE+O2=HOOETBEOOE 1.000E+12 0.000 -1300.0! REF:KUCRS ! CH2CMOOHOC2H5=>ETBECYOD+OH 1.000E+14 0.000 16540.0! REF:KUCRS CH2CMOOHOC2H5+O2=CH2OOCOOHMOC2H5 1.000E+12 0.000 -830.0! REF:KUCRS ! COOHM2OCHCH3=>CH3CHO+CH3COCH3+OH 5.000E+13 0.000 29500.0! REF:KUCRS COOHM2OCHCH3+O2=COOHM2OCHOOCH3 1.000E+12 0.000 -1300.0! REF:KUCRS ! COOHM2OCH2CH2=>ETBECYOE+OH 1.000E+12 0.000 17420.0! REF:KUCRS COOHM2OCH2CH2+O2=COOHM2OCH2CH2OO 1.000E+12 0.000 -830.0! REF:KUCRS ! CH2CM2OCH2OOH=>ETBECYOF+OH 1.000E+12 0.000 17420.0! REF:KUCRS CH2CM2OCH2OOH+O2=CH2OOCM2OCH2OOH 1.000E+12 0.000 -830.0! REF:KUCRS ! !CYCLIC ETHER REACTIONS ! ETBECYOA+OH=H2O+CH2CMOC2H5+HCO 9.360E+07 1.610 -1281.0! REF:KUCRS ETBECYOA+HO2=H2O2+CH2CMOC2H5+HCO 4.880E+12 0.000 15087.0! REF:KUCRS ! ETBECYOB+OH=H2O+CH3CHO+IC3H6VCHO 4.680E+07 1.610 -1281.0! REF:KUCRS ETBECYOB+HO2=H2O2+CH3CHO+IC3H6VCHO 2.440E+12 0.000 15087.0! REF:KUCRS ! ETBECYOC+OH=H2O+CH2CO+TC4H9O 5.730E+10 0.510 -1137.0! REF:KUCRS ETBECYOC+HO2=H2O2+CH2CO+TC4H9O 2.160E+12 0.000 12500.0! REF:KUCRS ! ETBECYOD+OH=H2O+COCMOC2H5+H 4.680E+07 1.610 -1281.0! REF:KUCRS ETBECYOD+HO2=H2O2+COCMOC2H5+H 2.440E+12 0.000 15087.0! REF:KUCRS COCMOC2H5+H=>CH3CHOC2H5+CO 4.400E+12 0.000 1459.0! REF:KUCRS COCMOC2H5+OH=>CH3CHOC2H5+CO2 2.000E+12 0.000 -1010.0! REF:KUCRS CH3CHOC2H5=>CH3CHO+C2H5 2.000E+13 0.000 23090.0! REF:(2) ! ETBECYOE+OH=H2O+CH3COCH3+CH2CHO 4.680E+07 1.610 -1281.0! REF:KUCRS ETBECYOE+HO2=H2O2+CH3COCH3+CH2CHO 2.440E+12 0.000 15087.0! REF:KUCRS ! ETBECYOF+OH=H2O+CH2O+IC3H6VCHO 4.680E+07 1.610 -1281.0! REF:KUCRS ETBECYOF+HO2=H2O2+CH2O+IC3H6VCHO 2.440E+12 0.000 15087.0! REF:KUCRS ! !O2QOOH RADICAL TYPE REACTIONS ! HOOETBEOOA=>CHOETBEOOHA+OH 2.500E+10 0.000 21400.0! REF:KUCRS CHOETBEOOHA=>OH+CH2O+CHOCMOC2H5 1.500E+16 0.000 42000.0! REF:KUCRS COCMOC2H5+H=CHOCMOC2H5 1.000E+13 0.000 2900.0! REF:KUCRS CHOCMOC2H5+O2=>COCMOC2H5+HO2 1.500E+06 1.629 5570.0! REF:KUCRS ! HOOETBEOOB=>CHOETBEOOHB+OH 3.120E+09 0.000 19350.0! REF:KUCRS CHOETBEOOHB=>OH+CH3CHO+COCOM2 1.500E+16 0.000 42000.0! REF:KUCRS COCOM2=>HCO+CH3COCH3 1.000E+11 0.000 11900.0! REF:KUCRS ! HOOETBEOOC=>CHOETBEOOHC+OH 1.560E+09 0.000 16050.0! REF:KUCRS CHOETBEOOHC=>OH+CH2O+CM2OCOCH3 1.500E+16 0.000 42000.0! REF:KUCRS CM2OCOCH3=>CH3COCH3+CH3CO 2.000E+13 0.000 23090.0! REF:(2) ! HOOETBEOOD=>CHOETBEOOHD+OH 1.000E+11 0.000 23850.0! REF:KUCRS CHOETBEOOHD=>OH+CH2O+CM3OCO 1.500E+16 0.000 42000.0! REF:KUCRS CM3OCO=>TC4H9+CO2 2.000E+13 0.000 23090.0! REF:(2) ! HOOETBEOOE=>CHOETBEOOHE+OH 2.000E+11 0.000 26400.0! REF:KUCRS CHOETBEOOHE=>OH+HCO+CM3OCHO 1.500E+16 0.000 42000.0! REF:KUCRS HCO+TC4H9O=CM3OCHO 5.000E+13 0.000 0.0! REF:(1) ! CH2OOCM2OCH2OOH=>CH2OOHCM2OCHO+OH 1.560E+09 0.000 16050.0! REF:KUCRS CH2OOHCM2OCHO=>OH+CH2O+CM2OCHO 1.500E+16 0.000 42000.0! REF:KUCRS CM2OCHO=>CH3COCH3+HCO 2.000E+13 0.000 23090.0! REF:(2) ! !ALKENE TYPE REACTIONS ! CH2CMOC2H5+O=>CH3CHOC2H5+HCO 7.300E+12 0.000 1710.0! REF:KUCRS CM3OC2H3+O=>CM3OCH2+HCO 7.300E+12 0.000 1710.0! REF:KUCRS !******************************************************************************* !FROM TOLUENE MODEL 061218 !******************************************************************************* !ANOTHER C3H5O REACTION PATHS AND FOLLOWING REACTIONS C3H5O =C2H3CHO+H 1.000E+14 0.00 2.910E+04 !PITZ2001 REV / 7.714E+11 0.48 1.775E+04 / C3H5O+O2 =C2H3CHO+HO2 1.000E+12 0.00 6.000E+03 !PITZ2001 REV / 1.288E+11 0.00 3.200E+04 / C2H3CHO+OH =C2H3CO+H2O 9.240E+06 1.50 -9.620E+02 !PITZ2001 REV / 2.147E+07 1.48 3.551E+04 / C2H3CHO+H =C2H3CO+H2 1.340E+13 0.00 3.300E+03 !PITZ2001 REV / 7.191E+12 -0.02 2.462E+04 / C2H3CHO+O =C2H3CO+OH 5.940E+12 0.00 1.868E+03 !PITZ2001 REV / 1.400E+12 -0.02 2.109E+04 / C2H3CHO+HO2 =C2H3CO+H2O2 3.010E+12 0.00 1.193E+04 !PITZ2001 REV / 4.152E+13 -0.35 1.694E+04 / C2H3CHO+CH3 =C2H3CO+CH4 2.608E+06 1.78 5.911E+03 !PITZ2001 REV / 3.656E+07 1.76 2.771E+04 / C2H3CO =C2H3+CO 3.043E+14 -0.46 3.051E+04 !PITZ2001 REV / 1.510E+11 0.00 4.810E+03 / !THE REACTIONS OF THE PRODUCTS FOR THE BENZYL RADICAL DECOMPOSITION NC4H3(+M) =C4H2+H(+M) 1.0E+14 0.00 36000.0 !FOURNET1999 LOW / 1.0E+14 0.00 30000.0 / TROE/ 1.0 1.0 1.0E+08 / C3H3+CH =NC4H3+H 7.0E+13 0.00 0.0 !FOURNET1999 NC4H3+H =IC4H3+H 1.0E+14 0.00 0.0 !FOURNET1999 NC4H3+H =C4H2+H2 5.0E+13 0.00 0.0 !FOURNET1999 C2H2+C2H2 =NC4H3+H 1.0E+12 0.00 64100.0 !FOURNET1999 C2H+C2H3 =NC4H3+H 1.8E+13 0.00 0.0 !FOURNET1999 NC4H3+OH =C4H2+H2O 3.0E+13 0.00 0.0 !FOURNET1999 IC4H3 =NC4H3 1.5E+13 0.00 67800.0 !FOURNET1999 IC4H3(+M) =C4H2+H(+M) 1.0E+14 0.00 55500.0 !FOURNET1999 LOW / 2.0E+15 0.00 48000.0 / TROE/ 1.0 1.0 1.0E+08 / C3H2+CH2(S) =IC4H3+H 1.2E+14 0.00 800.0 !FOURNET1999 C2H2+C2H2 =IC4H3+H 2.0E+12 0.00 66100.0 !FOURNET1999 C3H3+CH =IC4H3+H 7.0E+13 0.00 0.0 !FOURNET1999 IC4H3+H =C4H2+H2 5.0E+13 0.00 0.0 !FOURNET1999 IC4H3+O =CH2CO+C2H 2.0E+13 0.00 0.0 !FOURNET1999 IC4H3+OH =C4H2+H2O 3.0E+13 0.00 0.0 !FOURNET1999 IC4H3+O2 =CH2CO+HCCO 1.0E+12 0.00 0.0 !FOURNET1999 C2H+C2H =C4H2 1.8E+13 0.00 0.0 !FOURNET1999 C2H2+C2H2 =C4H2+H2 1.5E+13 0.00 42700.0 !FOURNET1999 C2H2+C2H =>C4H2+H 9.0E+13 0.00 0.0 !FOURNET1999 C4H2+H =>C2H2+C2H 6.0E+14 0.00 15400.0 !FOURNET1999 C4H2+O =>C3H2+CO 2.7E+13 0.00 1720.0 !FOURNET1999 C4H2+OH =HCO+C3H2 6.7E+12 0.00 -400.0 !FOURNET1999 !*************************TOLUENE SUB MECHANISM********************************* C6H5CH3=C6H5CH2J+H 2.090E+15 0.00 87463.4 !OEHLSCHLAEGER2005,1.5BAR C6H5CH3=C6H5+CH3 2.660E+16 0.00 97830.4 !OEHLSCHLAEGER2005,1.5BAR !C6H5CH3=C6H5CH2J+H 1.520E+16 0.00 93499.0 !OEHLSCHLAEGER2005,HIGHPRESSURELIMIT !C6H5CH3=C6H5+CH3 4.620E+25 -2.50 104483.0 !OEHLSCHLAEGER2005,HIGHPRESSURELIMIT C6H5CH3+O2=C6H5CH2J+HO2 2.180E+07 2.50 46045.0 !OEHLSCHLAEGER2006A C6H5CH3+H=C6H6+CH3 9.500E+05 2.00 943.0 !ELLIS2003 C6H5CH3+H=C6H5CH2J+H2 6.470E+00 3.98 3384.0 !OEHLSCHLAEGER2006B C6H5CH3+OH=C6H5CH2J+H2O 1.770E+05 2.394 -601.8 !SETA2006 C6H5CH3+OH=C6H5OH+CH3 7.380E+02 2.884 3219.3 !SETA2006 C6H5CH3+O=C6H5CH2J+OH 6.00E+10 0.7 7632.0 !PITZ2001 C6H5CH3+O=OC6H4CH3+H 1.70E+13 0.00 3600.0 !BOUNACEUR2005 C6H5CH3+HO2=C6H5CH2J+H2O2 1.02E+04 2.50 12339.3 !PITZ2001 C6H5CH3+CH3OO=C6H5CH2J+CH3OOH 1.02E+04 2.50 12339.3 !PITZ2001 C6H5CH3+CH3=C6H5CH2J+CH4 4.00E-05 5.60 9000.0 !PITZ2001 C6H5CH3+CH3O=C6H5CH2J+CH3OH 2.12E+10 0.00 3000.0 !PITZ2001 C6H5CH3+C2H3=C6H5CH2J+C2H4 2.21E+00 3.50 4680.0 !PITZ2001 C6H5CH3+C6H5OJ=C6H5CH2J+C6H5OH 5.43E+12 0.00 20923.0 !TST,SAKAI C6H5CH3+HCO=C6H5CH2J+CH2O 3.77E+13 0.00 23787.4 !TST,SAKAI C6H5CH3+C6H5CH2OJ=C6H5CH2J+C6H5CH2OH 1.60E+11 0.00 11100.0 !BOUNACEUR2005 C6H5CH3+C6H5CH2OOJ=C6H5CH2J+C6H5CH2OOH 1.02E+03 2.50 12339.3 !EQUAL TO C6H5CH3+HO2, A-FACTOR/10 C6H5CH3+C6H5=C6H5CH2J+C6H6 7.94E+12 0.00 11949.0 !PITZ2001 C6H5CH3+C6H4CH3=C6H5CH2J+C6H5CH3 7.94E+12 0.00 11949.0 !EQUAL TO C6H5CH3+C6H5 C6H5CH3+OC6H4CH3=C6H5CH2J+HOC6H4CH3 1.60E+11 0.00 15100.0 !BOUNACEUR2005 C6H5CH3+HO2=C6H4CH3+H2O2 9.200E+12 0.00 28810.0 !BAULCH1994 C6H5CH3+H=C6H4CH3+H2 1.899E+07 2.0 9696.0 !ELLIS2003 C6H5CH3+O=C6H4CH3+OH 2.000E+13 0.0 14700.0 !BOUNACEUR2005 C6H5CH3+OH=C6H4CH3+H2O 1.360E+04 2.691 619.6 !SETA2006 C6H5CH3+CH3=C6H4CH3+CH4 4.370E-04 5.00 12300.0 !SIVARAMAKRISHNAN2006 C6H5CH2J=C7H6+H 9.00E+14 0.00 80670.0 !OEHLSCHLAEGER2006C C2H+CY13PD5J=C7H6 1.00E+13 0.00 0.0 !RECOMB. NC4H3+C3H3=C7H6 1.00E+13 0.00 0.0 !RECOMB. C6H5CH2J+O2(+M)=C6H5CH2OOJ(+M) 1.00E+00 0.00 0.0 !MURAKAMI2007 TCHEB/ 300 2000/ PCHEB/ 0.132 132./ CHEB/ 8 4 1.2451E+01 7.3554E-01 -1.7244E-02 -8.1648E-04 -3.5023E+00/ CHEB/ 7.9339E-01 1.6780E-02 -7.1629E-04 -1.8341E+00 2.3633E-01 1.7728E-02/ CHEB/ 5.2831E-04 -7.3236E-01 3.8689E-03 4.4442E-03 2.8688E-04 -2.5432E-01/ CHEB/ 6.8284E-03 -3.9174E-03 -9.5956E-04 -1.3544E-01 1.2097E-02 1.7585E-03/ CHEB/-4.1806E-04 2.8834E-02 3.8520E-03 1.3198E-03 4.6928E-04 -8.9989E-02/ CHEB/-1.0474E-03 -3.0340E-04 1.0396E-04/ C6H5CH2J+O2(+M)=C6H5CHO+OH(+M) 1.00E+00 0.00 0.0 !MURAKAMI2007 TCHEB/ 300 2000/ PCHEB/ 0.132 132./ CHEB/ 8 4 3.3275E+00 -2.0397E-02 -7.4256E-03 -1.6060E-03 4.6378E+00/ CHEB/ 3.0525E-02 1.2498E-02 1.5728E-03 -5.7846E-01 -1.9992E-02 -4.8833E-03/ CHEB/-6.9279E-04 -4.6568E-01 4.2674E-03 2.3797E-03 8.6549E-05 -3.0958E-01/ CHEB/ 1.0799E-03 8.5564E-04 9.5221E-04 -1.5915E-01 -4.2760E-04 -4.5489E-04/ CHEB/-1.4374E-04 -6.6780E-02 -7.0974E-04 -3.7832E-04 -1.1982E-04 -3.5604E-03/ CHEB/ 8.9127E-04 4.8533E-04 2.0474E-04/ C6H5CH2J+O2(+M)=C6H5OJ+CH2O(+M) 1.00E+00 0.00 0.0 !MURAKAMI2007 TCHEB/ 300 2000/ PCHEB/ 0.132 132./ CHEB/ 8 4 3.0394E+00 -2.0427E-02 -7.4206E-03 -1.5642E-03 4.6629E+00/ CHEB/ 3.0663E-02 1.2467E-02 1.5536E-03 -5.7691E-01 -2.0237E-02 -4.9039E-03/ CHEB/-6.9407E-04 -4.7028E-01 4.4329E-03 2.3943E-03 8.6199E-05 -3.1107E-01/ CHEB/ 1.0074E-03 9.0046E-04 9.9645E-04 -1.5780E-01 -4.6735E-04 -4.8802E-04/ CHEB/-1.2891E-04 -6.7900E-02 -4.9726E-04 -3.2486E-04 -1.8352E-04 -2.0165E-03/ CHEB/ 7.1428E-04 4.2833E-04 2.5845E-04/ C6H5CH2OOJ(+M)=C6H5CHO+OH(+M) 1.00E+00 0.00 0.0 !MURAKAMI2007 TCHEB/ 300 2000/ PCHEB/ 0.132 132./ CHEB/ 8 4 1.3574E+01 2.7350E+00 -3.9110E-02 -1.4329E-02 8.5281E+00/ CHEB/-2.7060E-01 1.3097E-01 9.5916E-03 -8.5079E-01 -4.4676E-01 -5.9193E-03/ CHEB/ 2.5523E-03 -4.9349E-02 -1.6883E-01 -2.8090E-02 -3.3225E-05 3.5683E-02/ CHEB/-2.3095E-02 -9.2871E-03 -1.2901E-03 -2.6820E-02 1.0639E-03 1.1127E-03/ CHEB/ 6.8355E-05 -3.0725E-03 1.8669E-02 -2.0255E-04 -3.3672E-04 -3.7119E-02/ CHEB/-2.1710E-02 1.9991E-03 9.6457E-04/ C6H5CH2OOJ(+M)=C6H5OJ+CH2O(+M) 1.00E+00 0.00 0.0 !MURAKAMI2007 TCHEB/ 300 2000/ PCHEB/ 0.132 132./ CHEB/ 8 4 1.3271E+01 2.7347E+00 -3.8938E-02 -1.4205E-02 8.5323E+00/ CHEB/-2.6711E-01 1.3161E-01 9.6103E-03 -8.4486E-01 -4.4676E-01 -5.9497E-03/ CHEB/ 2.5401E-03 -4.6466E-02 -1.6979E-01 -2.8601E-02 -4.1506E-05 3.6616E-02/ CHEB/-2.3460E-02 -9.4360E-03 -1.3632E-03 -2.5813E-02 1.0223E-03 1.0465E-03/ CHEB/ 2.3027E-04 -4.5773E-03 1.8673E-02 -2.2368E-04 -3.8516E-04 -3.5573E-02/ CHEB/-2.1674E-02 1.8748E-03 9.5007E-04/ C6H5CH2OOJ+H=C6H5CH2OOH 1.00E+14 0.00 0.0 !BOUNACEUR2005 C6H5CH2OOJ+HO2=C6H5CH2OOH+O2 2.00E+11 0.00 0.0 !BOUNACEUR2005 2C6H5CH2OOJ=>2C6H5CH2OJ+O2 6.30E+13 0.00 -720.0 !BOUNACEUR2005 2C6H5CH2OOJ=>C6H5CH2OH+C6H5CHO+O2 6.30E+13 0.00 -720.0 !BOUNACEUR2005 C6H5CH2OOH=C6H5CH2OJ+OH 1.50E+16 0.00 42000.0 !BOUNACEUR2005 C6H5CH2J+OH=C6H5CH2OH 2.00E+13 0.00 0.0 !PITZ2001 C6H5CH2J+O=C6H5CHO+H 2.11E+14 0.00 0.0 !SAKAI C6H5CH2J+O=C6H5+CH2O 1.19E+14 0.00 0.0 !SAKAI C6H5CH2J+HO2=C6H5CH2OJ+OH 5.00E+12 0.00 0.0 !SAKAI C6H5CH2J+CH3=C6H5C2H5 2.00E+14 0.00 0.0 !RECOMB. C6H5CH2OH+O2=HO2+C6H5CHOH 1.40E+12 0.00 34000.0 ! C6H5CH2OH+O2=HO2+C6H5CH2OJ 2.00E+14 0.00 41400.0 ! C6H5CH2OH+OH=C6H5OH+CH2OH 2.61E+14 -0.67 1710.0 !PITZ2001 C6H5CH2OH+OH=C6H5CHOH+H2O 3.90E+09 1.00 -1100.0 ! C6H5CH2OH+OH=C6H5CH2OJ+H2O 3.90E+09 1.00 -1100.0 ! C6H5CH2OH+H=C6H6+CH2OH 5.30E+13 0.00 8100.0 ! C6H5CH2OH+H=C6H5CHOH+H2 8.00E+13 0.00 6400.0 ! C6H5CH2OH+H=C6H5CH2OJ+H2 8.00E+13 0.00 6400.0 ! C6H5CH2OH+O=C6H5CHOH+OH 4.20E+11 0.00 -2000.0 ! C6H5CH2OH+O=C6H5OJ+CH2OH 1.70E+13 0.00 3600.0 ! C6H5CH2OH+O=C6H5CH2OJ+OH 4.20E+11 0.00 -2000.0 ! C6H5CH2OH+HO2=C6H5CHOH+H2O2 2.70E+11 0.00 12000.0 ! C6H5CH2OH+HO2=C6H5CH2OJ+H2O2 2.70E+11 0.00 12000.0 ! C6H5CH2OH=C6H5CH2OJ+H 5.00E+13 0.00 104069.0 !ESTIMATE FROM THERMCHEM C6H5CH2OH=C6H5+CH2OH 5.00E+13 0.00 101225.0 !ESTIMATE FROM THERMCHEM C6H5CHOH=C6H5CHO+H 2.00E+14 0.00 23300.0 ! C6H5CHOH+O2=C6H5CHO+HO2 2.89E+16 -1.50 0.0 !BAULCH2005,CH2OH+O2 DUPLICATE C6H5CHOH+O2=C6H5CHO+HO2 7.23E+13 0.0 3733.7 !BAULCH2005,CH2OH+O2 DUPLICATE C6H5CHOH+H=C6H5CH2OH 1.00E+14 0.00 0.0 !RECOMB C6H5CHOH+OH=C6H5CHO+H2O 3.44E+09 1.18 -447.0 ! C6H5CH2OJ=C6H5CHO+H 2.73E+09 0.00 7289.0 !SAKAI,1ATM C6H5CH2OJ=C6H5+CH2O 3.29E+08 0.00 10268.0 !SAKAI,1ATM !C6H5CH2OJ=C6H5CHO+H 1.99E+13 0.00 18728.0 !SAKAI,HIGHPRESSURELIMIT !C6H5CH2OJ=C6H5+CH2O 8.55E+13 0.00 26017.0 !SAKAI,HIGHPRESSURELIMIT C6H5CH2OJ+O2=HO2+C6H5CHO 6.00E+10 0.00 1600.0 !BOUNACEUR2005 C6H5CHO+OH=H2O+C6H5CJO 3.44E+09 1.18 -447.0 !PITZ2001 C6H5CHO+H=H2+C6H5CJO 2.28E+10 1.05 3279.0 !PITZ2001 C6H5CHO=C6H5CJO+H 4.00E+15 0.00 83700.0 !BOUNACEUR2005 C6H5+HCO=C6H5CHO 5.00E+12 0.00 0.0 !BOUNACEUR2005 C6H5CHO+O=C6H5CJO+OH 6.00E+12 0.00 1800.0 !BOUNACEUR2005 C6H5CHO+O2=C6H5CJO+HO2 7.00E+11 0.00 39500.0 !BOUNACEUR2005 C6H5CHO+HO2=C6H5CJO+H2O2 3.00E+12 0.00 11000.0 !BOUNACEUR2005 C6H5CHO+CH3=C6H5CJO+CH4 2.00E-06 5.60 1500.0 !BOUNACEUR2005 C6H5CHO+C6H5=C6H5CJO+C6H6 1.30E+11 0.00 11500.0 !BOUNACEUR2005 C6H5CHO+C6H5CH2J=C6H5CJO+C6H5CH3 1.30E+11 0.00 11500.0 !BOUNACEUR2005 C6H5CJO=C6H5+CO 3.00E+12 0.00 34860.0 !PITZ2001 C6H5C2H5=C6H5C2H4+H 4.30E+14 0.0 83600.0 !BOUNACEUR2005 C6H5C2H5+O2=C6H5C2H4+HO2 3.63E+07 2.50 46045.0 !C6H5CH3+O2,A-FACTOR*(5/3) C6H5C2H5+H=C6H5C2H4+H2 1.08E+01 3.98 3384.0 !C6H5CH3+H,A-FACTOR*(5/3) C6H5C2H5+H=C6H6+C2H5 9.5E+05 2.00 943.0 !EQUAL TO TOL C6H5C2H5+OH=C6H5C2H4+H2O 2.95E+05 2.394 -601.8 !C6H5CH3+OH,A-FACTOR*(5/3) C6H5C2H5+O=C6H5C2H4+OH 1.00E+11 0.7 7632.0 !C6H5CH3+O,A-FACTOR*(5/3) STYR+H=C6H5C2H4 1.081E+12 0.45 1822.0 !C2H4+H=C2H5 C6H5C2H4+O2=HO2+STYR 1.00E+12 0.00 15000.0 !BOUNACEUR2005 C6H5C2H4+HO2=OH+CH2O+C6H5CH2J 5.00E+12 0.00 0.0 !BOUNACEUR2005 C6H5+C2H4=C6H5C2H4 1.00E+13 0.00 0.0 !RECOMB. C6H5CH2J+C6H5CH2J=C14H14 5.00E+12 0.00 454.0 !OEHLSCHLAEGER2005 C14H14=C14H13+H 1.00E+16 0.00 83660.0 !OEHLSCHLAEGER2005 C14H14+H=C14H13+H2 3.16E+12 0.00 0.0 !OEHLSCHLAEGER2005 C14H14+O2=C14H13+HO2 2.80E+12 0.00 35000.0 !OEHLSCHLAEGER2005 C14H14+O=C14H13+OH 8.40E+11 0.00 -2000.0 !OEHLSCHLAEGER2005 C14H14+OH=C14H13+H2O 7.00E+09 1.00 -1100.0 !OEHLSCHLAEGER2005 C14H14+HO2=C14H13+H2O2 5.40E+11 0.00 12000.0 !OEHLSCHLAEGER2005 C14H14+CH3=C14H13+CH4 2.20E+12 0.00 9100.0 !OEHLSCHLAEGER2005 C14H14+C6H5CH2J=C14H13+C6H5CH3 2.20E+11 0.00 9100.0 !OEHLSCHLAEGER2005 C14H14+C6H5=C14H13+C6H6 1.06E+14 0.00 9949.0 !BOUNACEUR2005,TABLEV ESTIMATED AA C14H14+C6H5OJ=C14H13+C6H5OH 5.43E+12 0.00 20923.0 !EQUAL TO C6H5CH3+C6H5O C14H13=STYLBEN+H 7.90E+15 0.00 51864.0 !OEHLSCHLAEGER2005 C14H13+O2=C6H5CHO+C6H5CH2OJ 3.94E+50 -11.50 4.225E+04 !C2H5+O2,A-FACTOR*(4/5) C14H13+HO2=C6H5CH2J+C6H5CHO+OH 1.920E+13 0.00 0.000E+00 !EQUAL TO C2H5+HO2 C6H5+C6H5=C12H10 2.00E+19 -2.10 2900.0 !BOUNACEUR2005 C6H5+C6H6=C12H10+H 3.98E+11 0.00 3993.7 !FAHR1988 STYR+O2=HO2+C6H5C2H2 2.00E+13 0.00 57900.0 !BOUNACEUR2005 STYR+O=C6H5+CH2CHO 3.00E+08 1.45 900.0 !BOUNACEUR2005 STYR+OH=C6H5CH2J+CH2O 1.40E+12 0.00 0.0 !BOUNACEUR2005 STYR+OH=C6H5CHO+CH3 2.80E+12 0.00 0.0 !BOUNACEUR2005 STYR+H=C6H5C2H2+H2 6.60E+05 2.53 9200.0 !BOUNACEUR2005 STYR+OH=C6H5C2H2+H2O 1.50E+06 2.00 400.0 !BOUNACEUR2005 C6H4CH3+CH3=XYLENE 1.2E+06 1.96 -3700.0 !BOUNACEUR2005 STYLBEN+O2=HO2+PHCCHPH 4.00E+13 0.00 58200.0 !EQUAL TO C2H4+O2=C2H3+HO2 STYLBEN+H=PHCCHPH+H2 8.42E-03 4.62 2583.0 !EQUAL TO C2H4+H=C2H3+H2 STYLBEN+OH=PHCCHPH+H2O 2.02E+13 0.00 5955.0 !EQUAL TO C2H4+OH=C2H3+H2O STYLBEN+O=C6H5CJO+C6H5CH2J 7.95E+03 1.66 657.4 ! PHCCHPH=>C6H5+C2H+C6H5 1.074E+25 -2.217 88474.6 ! PHCCHPH+O2=C6H5CJO+C6H5CHO 1.70E+29 -5.31 6500.0 !EQUAL TO C2H3+O2=CH2O+HCO C6H4CH3+O2=O2C6H4CH3 7.90E+11 -7.39 -45570.0 !SILVA2007 PLOG / 0.0001 7.90E+11 -7.39 -45570.0/! PLOG / 0.001 4.12E+69 -23.11 -13970.0/! PLOG / 0.01 1.13E+90 -27.98 -1890.0/! PLOG / 0.1 6.51E+107 -32.05 12220.0/! PLOG / 1.0 3.21E+132 -38.08 33960.0/! PLOG / 10.0 2.35E+160 -45.03 60240.0/! PLOG / 100.0 6.57E+179 -49.68 81660.0/! PLOG /1000.0 1.47E+184 -50.24 92040.0/! C6H4CH3+O2=OC6H4CH3+O 2.44E+18 -1.60 5040.0 !SILVA2007 PLOG / 0.0001 2.44E+18 -1.60 5040.0/! PLOG / 0.001 2.45E+18 -1.60 5040.0/! PLOG / 0.01 2.62E+18 -1.61 5060.0/! PLOG / 0.1 4.99E+18 -1.68 5320.0/! PLOG / 1.0 9.18E+20 -2.30 7370.0/! PLOG / 10.0 7.27E+29 -4.72 15600.0/! PLOG / 100.0 1.52E+43 -8.30 29100.0/! PLOG /1000.0 2.03E+48 -9.55 38300.0/! C6H4CH3+O2=OC6H4CH2+OH 8.725E+08 0.64 -4200.0 !SILVA2007, A-FACTOR/4, M- AND P-METHYPHENYL RADICAL HAVE NOT THIS REACTION PATH. SETA2006 ESTIMATED THAT BRANCHING RATIO TO O-METHYLPHENYL RADICAL FROM TOLUENE+OH WAS 0.28-0.22 AT 700-2000 K. PLOG / 0.0001 8.725E+08 0.64 -4200.0/! PLOG / 0.001 8.70E+08 0.65 -4200.0/! PLOG / 0.01 8.70E+08 0.65 -4200.0/! PLOG / 0.1 1.245E+09 0.60 -4060.0/! PLOG / 1.0 9.25E+11 -0.18 -1520.0/! PLOG / 10.0 4.35E+23 -3.36 8980.0/! PLOG / 100.0 9.30E+39 -7.77 24940.0/! PLOG /1000.0 1.435E+47 -9.58 35890.0/! C6H4CH3+O2=RODC6J(C)DO 1.046E+10 0.55 -4610.0 !SILVA2007, NOT DISTINGUISH 2- AND 6-METHYL-1,6-DIOXO-2,4-HEXADIENYL, A-FACTOR*2 PLOG / 0.0001 1.046E+10 0.55 -4610.0/! PLOG / 0.001 1.046E+10 0.55 -4610.0/! PLOG / 0.01 1.032E+10 0.55 -4620.0/! PLOG / 0.1 1.390E+10 0.52 -4500.0/! PLOG / 1.0 1.118E+13 -0.28 -1940.0/! PLOG / 10.0 1.024E+25 -3.54 8780.0/! PLOG / 100.0 7.18E+41 -8.09 25160.0/! PLOG /1000.0 5.78E+52 -10.91 39480.0/! O2C6H4CH3=OC6H4CH3+O 2.73E+21 -4.36 31710.0 !SILVA2007 PLOG / 0.0001 2.73E+21 -4.36 31710.0/! PLOG / 0.001 3.78E+22 -4.39 31840.0/! PLOG / 0.01 3.76E+24 -4.67 32750.0/! PLOG / 0.1 2.28E+29 -5.69 36320.0/! PLOG / 1.0 3.05E+37 -7.61 43660.0/! PLOG / 10.0 1.64E+43 -8.82 50880.0/! PLOG / 100.0 3.00E+38 -7.15 51140.0/! PLOG /1000.0 4.25E+26 -3.60 45360.0/! O2C6H4CH3=OC6H4CH2+OH 5.725E+14 -3.26 11280.0 !SILVA2007, A-FACTOR/4, M- AND P-METHYPHENYL RADICAL HAVE NOT THIS REACTION PATH. SETA2006 ESTIMATED THAT BRANCHING RATIO TO O-METHYLPHENYL RADICAL FROM TOLUENE+OH WAS 0.28-0.22 AT 700-2000 K. PLOG / 0.0001 5.725E+14 -3.26 11280.0/! PLOG / 0.001 1.30E+21 -4.71 16480.0/! PLOG / 0.01 1.395E+29 -6.60 23570.0/! PLOG / 0.1 9.755E+37 -8.69 32140.0/! PLOG / 1.0 5.075E+44 -10.17 40220.0/! PLOG / 10.0 5.35E+43 -9.50 43440.0/! PLOG / 100.0 1.505E+33 -6.25 39470.0/! PLOG /1000.0 3.075E+20 -2.51 33080.0/! O2C6H4CH3=RODC6J(C)DO 3.08E+20 -4.63 14340.0 !SILVA2007, NOT DISTINGUISH 2- AND 6-METHYL-1,6-DIOXO-2,4-HEXADIENYL, A-FACTOR*2 PLOG / 0.0001 3.08E+20 -4.63 14340.0/! PLOG / 0.001 2.74E+26 -5.97 19110.0/! PLOG / 0.01 9.82E+33 -7.74 25720.0/! PLOG / 0.1 1.90E+42 -9.68 33810.0/! PLOG / 1.0 1.892E+48 -10.96 41370.0/! PLOG / 10.0 6.64E+46 -10.16 44320.0/! PLOG / 100.0 5.64E+37 -7.30 42030.0/! PLOG /1000.0 6.24E+29 -4.83 41710.0/! OC6H4CH2=C6H6+CO 6.31E+14 0.0 67160.0 !DORRESTIJN1997 OCC*CC*CJC+CO=RODC6J(C)DO 1.51E+11 0.0 4810.0 !EQUAL TO RODC6JDO OCC*CC*CJC=C2H2+HCO+PC3H4 3.00E+13 0.0 43710.0 !EQUAL TO O*CC*CC*CJ OCC*CC*CJC+O2=O*CC*CC*O+CH3CO 5.42E+12 0.0 0.0 !EQUAL TO O*CC*CC*CJ OC6H4CH3=H+C6H6+CO 7.6E+11 0.0 43800.0 !BOUNACEUR2005 C6H4CH3+H=C6H5CH3 1.0E+14 0.0 0.0 !BOUNACEUR2005 C6H4CH3+H=C6H5CH2J+H 1.0E+13 0.0 0.0 !BOUNACEUR2005 C6H4CH3+O=OC6H4CH3 1.0E+14 0.0 0.0 !BOUNACEUR2005 C6H4CH3+OH=HOC6H4CH3 3.0E+13 0.0 0.0 !EQUAL TO C6H5 C6H4CH3+HO2=OC6H4CH3+OH 5.0E+12 0.0 0.0 !BOUNACEUR2005 OC6H4CH3+H=HOC6H4CH3 1.0E+14 0.0 0.0 !BOUNACEUR2005 HOC6H4CH3+O2=OC6H4CH3+HO2 1.0E+13 0.0 38900.0 !BOUNACEUR2005 HOC6H4CH3+O2=HOC6H4CH2+HO2 2.1E+12 0.0 39700.0 !BOUNACEUR2005 HOC6H4CH3+H=C6H5OH+CH3 5.8E+13 0.0 8100.0 !BOUNACEUR2005 HOC6H4CH3+H=OC6H4CH3+H2 1.2E+14 0.0 12400.0 !BOUNACEUR2005 HOC6H4CH3+O=OC6H4CH3+OH 1.3E+13 0.0 2900.0 !BOUNACEUR2005 HOC6H4CH3+OH=OC6H4CH3+H2O 1.4E+08 1.4 -960.0 !BOUNACEUR2005 HOC6H4CH3+HO2=OC6H4CH3+H2O2 1.0E+12 0.0 10000.0 !BOUNACEUR2005 HOC6H4CH3+CH3=OC6H4CH3+CH4 1.8E+11 0.0 7700.0 !BOUNACEUR2005 HOC6H4CH3+C6H5=OC6H4CH3+C6H6 4.9E+12 0.0 4400.0 !BOUNACEUR2005 HOC6H4CH3+CY13PD5J=OC6H4CH3+CY13PD 4.9E+11 0.0 9400.0 !BOUNACEUR2005 HOC6H4CH3+C6H5OJ=OC6H4CH3+C6H5OH 4.9E+11 0.0 9400.0 !BOUNACEUR2005 HOC6H4CH3+H=HOC6H4CH2+H2 1.2E+14 0.0 8400.0 !BOUNACEUR2005 HOC6H4CH3+O=HOC6H4CH2+OH 6.3E+11 0.0 0.0 !BOUNACEUR2005 HOC6H4CH3+OH=HOC6H4CH2+H2O 5.2E+09 1.0 870.0 !BOUNACEUR2005 HOC6H4CH3+HO2=HOC6H4CH2+H2O2 4.0E+11 0.0 14000.0 !BOUNACEUR2005 HOC6H4CH3+CH3=HOC6H4CH2+CH4 1.6E+12 0.0 11100.0 !BOUNACEUR2005 HOC6H4CH3+C3H3=HOC6H4CH2+PC3H4 1.6E+12 0.0 15100.0 !BOUNACEUR2005 HOC6H4CH3+CY13PD5J=HOC6H4CH2+CY13PD 1.6E+11 0.0 15100.0 !BOUNACEUR2005 HOC6H4CH3+C6H5=HOC6H4CH2+C6H6 7.9E+13 0.0 12000.0 !BOUNACEUR2005 HOC6H4CH3+C6H5OJ=HOC6H4CH2+C6H5OH 1.6E+11 0.0 15100.0 !BOUNACEUR2005 HOC6H4CH3+C6H4CH3=HOC6H4CH2+C6H5CH3 7.9E+13 0.0 12000.0 !BOUNACEUR2005 HOC6H4CH3+OC6H4CH3=HOC6H4CH2+HOC6H4CH3 1.6E+11 0.0 15100.0 !BOUNACEUR2005 HOC6H4CH3+C6H5CH2OOJ=HOC6H4CH2+C6H5CH2OOH 4.0E+11 0.0 14000.0 !BOUNACEUR2005 HOC6H4CH3+C6H5CH2OJ=HOC6H4CH2+C6H5CH2OH 1.6E+11 0.0 11100.0 !BOUNACEUR2005 HOC6H4CH2+O2=HOC6H4CH2OO 4.6E+11 0.0 -380.0 !BOUNACEUR2005 HOC6H4CH2+O2=HOC6H4CH2O+O 6.3E+12 0.0 40000.0 !BOUNACEUR2005 HOC6H4CH2+H=HOC6H4CH3 1.0E+14 0.0 0.0 !BOUNACEUR2005 HOC6H4CH2+HO2=HOC6H4CH2OOH 5.0E+12 0.0 0.0 !BOUNACEUR2005 HOC6H4CH2+CH3=C6H5OH+C2H4 5.0E+12 0.0 0.0 !BOUNACEUR2005 HOC6H4CH2OO=HOC6H4CHO+OH 3.4E+09 1.0 37500.0 !BOUNACEUR2005 HOC6H4CH2O=H+HOC6H4CHO 2.0E+13 0.0 27500.0 !BOUNACEUR2005 HOC6H4CH2O=C6H4OH+CH2O 2.0E+13 0.0 27500.0 !BOUNACEUR2005 HOC6H4CH2O+O2=HO2+HOC6H4CHO 6.0E+10 0.0 1600.0 !BOUNACEUR2005 HOC6H4CHO+H=HOC6H4CO+H2 4.0E+13 0.0 3200.0 !BOUNACEUR2005 HOC6H4CHO+O=HOC6H4CO+OH 6.0E+12 0.0 1800.0 !BOUNACEUR2005 HOC6H4CHO+OH=HOC6H4CO+H2O 7.8E+12 0.0 0.0 !BOUNACEUR2005 HOC6H4CHO+HO2=HOC6H4CO+H2O2 3.0E+12 0.0 11000.0 !BOUNACEUR2005 HOC6H4CHO+CH3=HOC6H4CO+CH4 2.0E-06 5.6 1500.0 !BOUNACEUR2005 HOC6H4CO=C6H5OJ+CO 4.0E+14 0.0 29500.0 !BOUNACEUR2005 !******************************************************************************* !C6H5OH, OC6H4O AND THEIR RELATED REACTIONS UNDER CONSIDERATION !******************************************************************************* !OC6H4O=CYPDONE+CO 1.0E+12 0.0 40.0E+03 !BOUNACEUR2005 !OC6H4O+H=2CO+C2H2+C2H3 5.2E+13 0.0 3.2E+03 !BOUNACEUR2005 !OC6H4O+H=H2+2CO+C2H2+C2H 1.6E+06 2.5 9.8E+03 !BOUNACEUR2005 !OC6H4O+OH=H2O+2CO+C2H2+C2H 4.4E+06 2.0 1.4E+03 !BOUNACEUR2005 !CHDKO+OH=CHDJKO+H2O 6.00E+12 0.0 0.0 !PITZ2001 !CHDKO+O=CHDJKO+OH 5.00E+12 0.0 0.0 !PITZ2001 !C6H5OH+C6H5=C6H6+C6H5OJ 1.00E+11 0.0 6064.0 !PITZ2001 !C6H5OH+CY13PD5J=CY13PD+C6H5OJ 7.20E+01 3.1 15425.0 !PITZ2001 !C6H5OH+AC3H5=C6H5OJ+C3H6 1.44E+01 3.1 6935.0 !PITZ2001 !C6H5OH+C3H3=C6H5OJ+PC3H4 3.00E+11 0.0 5500.0 !PITZ2001 !C6H5OH+CH3=CH4+C6H5OJ 1.44E+01 3.1 6935.0 !PITZ2001 !C6H5OH+O2=C6H5OJ+HO2 1.00E+13 0.0 37900.0 !PITZ2001 !C6H5OH+OH=C6H5OJ+H2O 6.00E+12 0.0 0.0 !PITZ2001 !C6H5OH+O=C6H5OJ+OH 1.28E+13 0.0 2891.0 !PITZ2001 !C6H5OH+H=H2+C6H5OJ 1.15E+14 0.0 12390.0 !PITZ2001 !C6H5OH=H+C6H5OJ 1.09E+16 0.0 86500.0 !PITZ2001 !C6H5OJ=CHDJKO 9.24E+12 -1.02 2050.0 !PITZ2001 !C6H5OJ=CO+CY13PD5J 8.54E+06 1.74 41420.0 !PITZ2001 !CHDJKO=CO+CY13PD5J 9.96E+15 -0.78 48600.0 !PITZ2001 !CHDJKO+H=CHDKO 1.32E+13 0.0 -5660.0 !PITZ2001 !CHDJKO+H=C6H5OH 2.00E+15 0.0 4440.0 !PITZ2001 !C6H5OJ+CHDKO=C6H5OH+C6H5OJ 1.00E+13 0.0 14000.0 !PITZ2001 !C6H5OJ+C2H3CHO=C2H3CO+C6H5OH 2.00E+12 0.0 13300.0 !PITZ2001 C6H5OH=CY13PD+CO 1.00E+12 0.00 60800.0 !ALZUETA19982000 C6H5OH+O2=C6H5OJ+HO2 1.00E+13 0.00 38000.0 !ALZUETA19982000 C6H5OH+H=C6H5OJ+H2 1.20E+14 0.00 12400.0 !ALZUETA19982000 C6H5OH+O=C6H5OJ+OH 1.30E+13 0.00 2900.0 !ALZUETA19982000 C6H5OH+OH=C6H5OJ+H2O 3.00E+06 2.00 -1310.0 !ALZUETA19982000 C6H5OH+HO2=C6H5OJ+H2O2 1.00E+12 0.00 1000.0 !ALZUETA19982000 C6H5OH+C2H3=C6H5OJ+C2H4 6.00E+12 0.00 0.0 !ALZUETA19982000 C6H5OH+NC4H5=C6H5OJ+C4H6 6.00E+12 0.00 0.0 !ALZUETA19982000 C6H5OH+C6H5=C6H5OJ+C6H6 4.90E+12 0.00 4400.0 !ALZUETA19982000 C6H5OJ=CY13PD5J+CO 7.40E+11 0.00 43900.0 !ALZUETA19982000 C6H5OJ+H=C6H5OH 2.50E+14 0.00 0.0 !ALZUETA19982000 C6H5OJ+O=OC6H4O+H 1.70E+14 0.00 0.0 !ALZUETA19982000 NOT DISTINGISH O- AND P- BENZOQUINONE, RATE CONSTANTS*2 FOR P-QUINONE C6H5OJ+O=CY13PD5J+CO2 1.00E+13 0.00 0.0 !ALZUETA19982000 OC6H4O=CYPDONE+CO 3.70E+11 0.00 59000.0 !ALZUETA19982000 OC6H4O=C5H4+CO2 3.50E+12 0.00 67000.0 !ALZUETA19982000 NOT CONFIRMED C5H4=CYCLOPENTADIENYLIDE RADICAL OC6H4O+H=C5H5O1_1+CO 2.50E+13 0.00 4700.0 !ALZUETA19982000 C5H5O=C5H5O1_1 IN TERMS OF PITZ MODEL !OC6H4O+H=OC6H3O+H2 2.00E+12 0.00 8100.0 !ALZUETA19982000 H ATOM ABSTRACTION REACTION IN AROMATIC H OC6H4O+H=>2CO+C2H2+C2H+H2 2.00E+12 0.00 8100.0 !NET !OC6H4O+O=C6H3O3+H 1.50E+13 0.00 4530.0 !ALZUETA19982000 SIMILAR C6H6+O=C6H5O(PHENOXY RADICAL)+H OC6H4O+O=>2CO+C2H2+HCCO+H 1.50E+13 0.00 4530.0 !NET !OC6H4O+O=OC6H3O+OH 1.40E+13 0.00 14700.0 !ALZUETA19982000 OC6H4O+O=>2CO+C2H2+C2H+OH 1.40E+13 0.00 14700.0 !NET !OC6H4O+OH=OC6H3O+H2O 1.00E+06 2.00 4000.0 !ALZUETA19982000 NEED ADDITION REACTION FOR LOW TEMP OC6H4O+OH=>2CO+C2H2+C2H+H2O 1.00E+06 2.00 4000.0 !NET !OC6H3O+H=>OC6H4O+OH 1.00E+14 0.00 0.0 !ALZUETA19982000 !OC6H3O+H=>2C2H2+2CO 1.00E+14 0.00 0.0 !ALZUETA19982000 !OC6H3O+O=>C2H2+HCCO+2CO 1.00E+14 0.00 0.0 !ALZUETA19982000 !C6H3O3=>C2H2+HCCO+2CO 1.00E+12 0.00 50000.0 !ALZUETA19982000 !C6H3O3+H=>C2H2+CH2CO+2CO 1.00E+14 0.00 0.0 !ALZUETA19982000 C5H4+H=C5H3+H2 1.00E+06 2.50 5000.0 !ALZUETA19982000 C5H4+O=C5H3+OH 1.00E+06 2.50 3000.0 !ALZUETA19982000 C5H4+OH=C5H3+H2O 1.00E+06 2.00 0.0 !ALZUETA19982000 C5H3+H=C5H4 1.00E+14 0.00 0.0 !ALZUETA19982000 C5H3+O2=C2H2+HCCO+CO 1.00E+12 0.00 0.0 !ALZUETA19982000 C6H5=LC6H5 2.11E+12 0.0 59750.0 ! LC6H5=NC4H3+C2H2 5.00E+14 0.0 38000.0 ! C6H5(+M)=C6H4+H(+M) 4.30E+12 0.6 77300.0 ! LOW / 1.00E+84 -18.87 90100.0/! TROE/ 0.902 696.0 358.0 3856.0/! C4H2+C2H2=C6H4 1.40E+07 1.40 25410.0 ! C6H6+O2=C6H5+HO2 6.31E+13 0.0 67832.0 !PITZ2001 C6H6=C6H5+H 1.35E+108 -25.81 181800.0 !PITZ2001 PLOG / 0.03947 1.35E+108 -25.81 181800.0/! PLOG / 1.0 6.31E+60 -12.40 148100.0/! PLOG / 10.0 5.50E+38 -6.18 132000.0/! C6H6+H=C6H5+H2 2.00E+13 0.0 18600.0 !PITZ2001 C6H6+H=LINC6H7 1.22E+22 -1.87 31200.0 !PITZ2001 C6H6+H=CYC6H7 1.20E+125 -33.66 55212.0 !PITZ2001 PLOG / 1.0 1.20E+125 -33.66 55212.0/! PLOG / 3.0 4.98E+128 -34.47 59329.0/! PLOG / 10.0 3.27E+130 -34.75 62718.0/! PLOG / 30.0 2.40E+129 -34.20 64174.0/! PLOG / 100.0 3.33E+124 -32.58 63531.0/! C6H6+H=FULVENE+H 6.42E+26 -3.25 46515.0 !PITZ2001 PLOG / 1.0 6.42E+26 -3.25 46515.0/! PLOG / 3.0 6.87E+27 -3.54 47297.0/! PLOG / 10.0 8.43E+32 -4.95 51244.0/! PLOG / 30.0 8.23E+42 -7.71 59334.0/! PLOG / 100.0 3.04E+56 -11.42 71447.0/! C6H6+OH=C6H5+H2O 1.63E+08 1.42 1451.0 !PITZ2001 C6H6+OH=C6H5OH+H 4.99E+08 1.31 6543.0 !PITZ2001 PLOG / 1.0 4.99E+08 1.31 6543.0/! PLOG / 10.0 8.21E+13 -0.13 10673.0/! PLOG / 100.0 6.68E+20 -2.02 16758.0/! C6H6+O=C6H5OJ+H 2.48E+14 -0.34 4674.0 !PITZ2001 C6H6+O=C6H5+OH 2.00E+13 0.00 14700.0 !ALZUETA19982000 C6H6+HO2=C6H5+H2O2 7.50E+03 2.5 27619.0 !PITZ2001 C6H5+HO2=C6H5OJ+OH 3.00E+13 0.0 0.0 !PITZ2001 C6H5+CY13PD=C6H6+CY13PD5J 1.00E+12 0.0 0.0 !PITZ2001 C6H5+O2=C6H5O2 6.91E+132 -36.41 49920.0 !PITZ2001 PLOG / 1.0 6.91E+132 -36.41 49920.0 / PLOG / 8.5 5.67E+132 -35.91 53659.0 / C6H5+O2=YOC6JDO 5.98E+32 -6.20 20953.0 !PITZ2001 PLOG / 1.0 5.98E+32 -6.20 20953.0 / PLOG / 8.5 5.14E+39 -8.05 28271.0 / C6H5+O2=C6H5OJ+O 1.26E+35 -5.92 20501.0 !PITZ2001 PLOG / 1.0 1.26E+35 -5.92 20501.0 / PLOG / 8.5 8.21E+41 -7.74 27770.0 / C6H5+O2=RODC6JDO 6.59E+35 -6.36 17797.0 !PITZ2001 PLOG / 1.0 6.59E+35 -6.36 17797.0 / PLOG / 8.5 6.46E+41 -7.94 24808.0 / C6H5+O2=CY13PD5J+CO2 1.70E+33 -5.96 18648.0 !PITZ2001 PLOG / 1.0 1.70E+33 -5.96 18648.0 / PLOG / 8.5 2.41E+40 -7.86 26448.0 / C6H5O2=C6H5OJ+O 9.59E+80 -19.82 79043.0 !PITZ2001 PLOG / 1.0 9.59E+80 -19.82 79043.0 / PLOG / 8.5 7.51E+67 -15.72 73699.0 / C6JYOO=C6H5O2 6.21E+79 -19.17 75366.0 !PITZ2001 PLOG / 1.0 6.21E+79 -19.17 75366.0 / PLOG / 8.5 5.49E+80 -19.18 75390.0 / C6JYOO=YOC6JDO 1.70E+79 -19.20 75382.0 !PITZ2001 PLOG / 1.0 1.70E+79 -19.20 75382.0 / PLOG / 8.5 1.51E+80 -19.21 75405.0 / YOC6JDO=RODC6JDO 3.91E+41 -9.00 36324.0 !PITZ2001 PLOG / 1.0 3.91E+41 -9.00 36324.0 / PLOG / 8.5 3.99E+40 -8.44 37964.0 / C6H5+OH=C6H5OH 3.00E+13 0.0 0.0 !PITZ2001 C6H5+O=CY13PD5J+CO 3.65E+07 1.89 -1770.0 !PITZ2001 CYC6H7+O2=C6H6+HO2 7.90E+11 0.00 9900.0 !BOUNACEUR2005 CYC6H7+H=C6H6+H2 3.30E+12 0.00 0.0 !BOUNACEUR2005 CYC6H7+OH=C6H6+H2O 1.00E+13 0.00 0.0 !BOUNACEUR2005 O*CC*CC*CJ+CO=RODC6JDO 1.51E+11 0.0 4810.0 !PITZ2001 C6H5+C2H5=C6H5C2H5 1.00E+14 0.0 0.0 !RECOMB. C6H5CH2J+CY13PD=CY13PD5J+C6H5CH3 2.50E+11 0.0 5000.0 !PITZ2001 CH3CY24PD+CH3=CH4+CPDJCH3 2.50E+11 0.0 5000.0 !PITZ2001 CH3CY24PD+CH3=CH4+CH2CY24PD 2.50E+11 0.0 6000.0 !PITZ2001 CH3CY24PD+H=H2+CH2CY24PD 1.20E+14 0.0 8000.0 !PITZ2001 CYC5H4CH3+H2=CH3CY24PD+H 2.00E+13 0.0 46000.0 !PITZ2001 C6H6+C2H3=STYR+H 7.94E+11 0.0 6400.0 !PITZ2001 CYC6H7+H=C4H6+C2H2 6.50E+13 0.0 0.0 !PITZ2001 CYC6H7=LINC6H7 3.00E+13 0.0 46400.0 !PITZ2001 LINC6H7=NC4H5+C2H2 5.50E+14 0.0 41000.0 !PITZ2001 CYC5H8+H=CYC5H9 4.11E+47 -11.49 8490.0 !PITZ2001 CYC5H8+H=AC3H5+C2H4 1.28E+27 -4.07 11800.0 !PITZ2001 CYC5H8=CYC5H7_1+H 5.00E+15 0.0 84170.0 !PITZ2001 CYC5H7_1+H2=CYC5H8+H 1.08E+05 2.38 19000.0 !PITZ2001 CYC5H7_1+O2=C*OCCCJC*O 8.00E+24 -3.8 20000.0 !PITZ2001 CYC5H7_1+OH=CY13PD+H2O 2.42E+13 0.0 0.0 !PITZ2001 CYC5H7_1=C*CCJC*C 3.20E+15 0.0 39500.0 !ALZUETA19982000 CYC5H5OH+HO2=H2O2+CYC5H4OH 3.61E+03 2.55 10531.0 !PITZ2001 CYC5H5OH+HO2=H2O2+CYC5H5OJ 1.00E+13 0.0 15800.0 !PITZ2001 CYC5H5OH+OH=H2O+CYC5H4OH 5.48E+12 0.0 1731.0 !PITZ2001 CYC5H5OH+OH=H2O+CYC5H5OJ 1.00E+13 0.0 1697.0 !PITZ2001 CYC5H5OH+O=OH+CYC5H4OH 4.17E+11 0.0 0.0 !PITZ2001 CYC5H5OH+O=OH+CYC5H5OJ 1.00E+13 0.0 4683.0 !PITZ2001 CYC5H5OH+H=H2+CYC5H4OH 3.15E+12 0.0 0.0 !PITZ2001 CYC5H5OH+H=H2+CYC5H5OJ 4.00E+13 0.0 6094.0 !PITZ2001 CYC5H4OH=CYPDONE+H 1.00E+13 0.0 47450.0 !PITZ2001 CYC5H5OJ=NC4H5+CO 1.07E+79 -19.62 66250.0 !PITZ2001 CYC5H5OJ=CYPDONE+H 2.94E+32 -6.5 21220.0 !PITZ2001 C5H5O1_1=CYPDONE+H 2.94E+32 -6.5 21220.0 !PITZ2001 CY13PD=CY13PD5J+H 5.96E+14 0.0 75100.0 !PITZ2001 CY13PD+O2=CY13PD5J+HO2 4.00E+13 0.0 37150.0 !PITZ2001 CY13PD+H=CYC5H7_1 6.00E-01 2.78 -12460.0 !PITZ2001 CY13PD+H=C2H2+AC3H5 1.64E+36 -5.99 32500.0 !PITZ2001 CY13PD+H=C*CCJC*C 1.40E+14 -0.18 3150.0 !PITZ2001 CY13PD+H=H2+CY13PD5J 1.30E+06 2.4 4471.0 !PITZ2001 CY13PD+O=CY13PD5J+OH 6.03E+10 0.7 7633.0 !PITZ2001 CY13PD+O=C5H5O1_1+H 9.39E+12 -0.04 150.0 !PITZ2001 CY13PD+OH=CY13PD5J+H2O 3.12E+06 2.00 -298.0 !PITZ2001 CY13PD+HO2=CY13PD5J+H2O2 4.00E+12 0.0 15900.0 !PITZ2001 CY13PD+HCO=CY13PD5J+CH2O 7.20E+06 1.9 17010.0 !PITZ2001 CY13PD+CH3=CH4+CY13PD5J 1.80E-01 4.0 0.0 !PITZ2001 CY13PD+C2H3=C6H6+CH3 2.12E+67 -16.08 42640.0 !PITZ2001 CY13PD+C2H3=CY13PD5J+C2H4 1.20E-01 4.0 0.0 !PITZ2001 CY13PD+AC3H5=C3H6+CY13PD5J 6.00E+12 0.0 12000.0 !PITZ2001 CY13PD+NC4H5=C4H6+CY13PD5J 3.00E+12 0.0 6000.0 !PITZ2001 CY13PD+CY13PD=DICYPD 1.00E+13 0.0 31250.0 !PITZ2001 CY13PD+CY13PD5J=IND+CH3 3.22E+15 -1.37 16710.0 !PITZ2001 CY13PD5J=CJC*CC#C 1.00E+12 1.00 77000.0 !ALZUETA19982000 CY13PD5J+C2H3CHO=C2H3CO+CY13PD 1.00E+13 0.0 8843.0 !PITZ2001 CY13PD5J+HO2=CYC5H5OJ+OH 1.84E+37 -6.8 16910.0 !PITZ2001 CY13PD5J+HO2=CPDOOH 1.99E+68 -17.17 19570.0 !PITZ2001 CY13PD5J+O2=O*CJC*CCC*O 2.05E+13 -1.01 4280.0 !PITZ2001 CY13PD5J+O2=O*CC*CCJC*O 6.11E+17 -2.25 8390.0 !PITZ2001 CY13PD5J+O2=C*CC*C*O+HCO 6.77E+24 -3.95 17620.0 !PITZ2001 CY13PD5J+OH=CYC5H5OH 1.24E+14 -0.57 0.0 !PITZ2001 CY13PD5J+O=NC4H5+CO 1.51E+14 -0.29 350.0 !PITZ2001 CY13PD5J+O=CYPDONE+H 2.99E+13 0.05 0.0 !PITZ2001 CY13PD5J+O=CYC5H5OJ 3.20E-08 4.71 -12990.0 !PITZ2001 CY13PD5J+C3H6=CPDC*C+CH3 1.49E+11 -0.06 29790.0 !PITZ2001 CY13PD5J+C2H3=CPDC*C 4.82E+13 0.0 0.0 !PITZ2001 CY13PD5J+CH3=CH3CY24PD 6.25E+48 -10.44 19130.0 !PITZ2001 CY13PD5J+CH3=H+CYC5H4CH3 1.00E+78 -18.21 62870.0 !PITZ2001 CY13PD5J+CY13PD5J=BICPDJ+H 4.87E+53 -12.34 49703.0 !PITZ2001 PLOG / 1.0 4.87E+53 -12.34 49703.0 / PLOG / 8.5 6.39E+63 -15.10 58777.0 / CY13PD5J+CY13PD5J=BICPD 3.84E+148 -40.68 62839.0 !PITZ2001 PLOG / 1.0 3.84E+148 -40.68 62839.0 / PLOG / 8.5 1.84E+150 -40.75 67789.0 / BICPD+O2=BICPDJ+HO2 4.00E+13 0.0 37150.0 !PITZ2001 BICPD+OH=BICPDJ+H2O 3.12E+06 2.00 -298.0 !PITZ2001 BICPD+O=BICPDJ+OH 6.03E+10 0.7 7633.0 !PITZ2001 BICPD+H=BICPDJ+H2 1.30E+06 2.4 4471.0 !PITZ2001 BICPD+HO2=BICPDJ+H2O2 4.00E+12 0.0 15900.0 !PITZ2001 BICPD+CH3=BICPDJ+CH4 1.80E-01 4.0 0.0 !PITZ2001 BICPDJ=NAPH+H 3.00E+11 0.0 20000.0 !PITZ2001 C*CC*CC+H=C4H6+CH3 5.20E+71 -16.38 51060.0 !PITZ2001 C*CC*CC+H=C*CC*CCJ+H2 7.00E+06 2.00 5000.0 !ALZUETA19982000 C*CC*CC+OH=C*CC*CCJ+H2O 7.00E+06 2.00 0.0 !ALZUETA19982000 C*CCJC*C=C*CC*CCJ 5.35E+11 -0.7 60.0 !PITZ2001 C*CCJC*C+O2=C2H3CHO+CH2CHO 1.20E+36 -7.25 33600.0 !ALZUETA19982000 C*CC*CCJ+O2=C*CCJC*O+CH2O 8.16E+10 0.18 9140.0 !PITZ2001 C*CC*CCJ+H=C*CC*CC 2.33E+20 -1.6 3020.0 !PITZ2001 C*CC*CCJ+H=NC4H5+CH3 2.91E+26 -2.18 36770.0 !PITZ2001 C*CC*CCJ+OH=C*CC*CCOH 1.50E+13 0.0 0.0 !ALZUETA19982000 C*CC*CCJ+O=C2H3CHO+C2H3 2.00E+14 0.0 0.0 !ALZUETA19982000 CPDOOH=CYC5H5OJ+OH 2.88E+76 -18.42 75720.0 !PITZ2001 CYPDONE+H=CO+NC4H5 2.13E+61 -13.27 40810.0 !PITZ2001 CYPDONE+H=O*CJC*CC*C 1.60E+65 -14.94 36980.0 !PITZ2001 CYPDONE+OH=H2O+CPDJONE 5.30E+07 1.42 1451.0 !PITZ2001 CYPDONE=C2H2+C2H2+CO 5.70E+32 -6.76 68500.0 ! CYPDONE+O=CPDJONE+OH 1.40E+13 0.0 14700.0 ! CYPDONE+O=C4H4+CO2 1.0E+13 0.0 2000.0 ! CPDJONE+O2=CO2+CJ*CC*C*O 9.67E+58 -13.47 38180.0 !PITZ2001 CPDJONE=C2H2+CO+C2H 2.00E+13 0.0 51000.0 ! C4H6+OH=NC4H5+H2O 8.43E+12 0.0 -874.0 !PITZ2001 NC4H5+C2H4=C4H6+C2H3 6.31E+11 0.0 7800.0 !PITZ2001 NC4H5+H2=H+C4H6 3.90E+09 0.5 3704.0 !PITZ2001 NC4H5+H=C4H6 1.13E+45 -9.05 15830.0 !PITZ2001 NC4H5+H=C2H3+C2H3 3.91E+46 -8.66 32250.0 !PITZ2001 NC4H5=C2H2+C2H3 1.00E+14 0.0 43890.0 !PITZ2001 NC4H5+O2=C2H3CHO+HCO 3.32E+24 -3.67 6190.0 !PITZ2001 C4H4+H=NC4H5 5.50E+12 0.0 2400.0 !PITZ2001 C4H4+O=HCCO+C2H3 1.00E+13 0.0 0.0 ! C*CC*CCOH+H=C4H6+CH2OH 2.50E+34 -6.12 16250.0 !ALZUETA19982000 C*CCJC*O+HO2=C2H3CHO+HCO+OH 3.50E+12 0.00 -1000.0 !PITZ2001 C*CCJC*O+HO2=HCOHCO+C2H3+OH 3.50E+12 0.00 -1000.0 !PITZ2001 C*CCJC*O=AC3H5+CO 6.10E+05 0.92 -1120.0 !ALZUETA19982000 C*CCJC*O+O2=C2H3CHO+O*CHOJ 1.20E+36 -7.25 33600.0 !ALZUETA19982000 CJC*CC#C=C3H3+C2H2 1.00E+12 1.0 31000.0 !ALZUETA19982000 C2H2+HCCO=CJ*CC*C*O 3.16E+11 0.0 6000.0 !PITZ2001 C*OCCCJC*O+O2=C*OCCC*O+O*CHOJ 6.29E+05 1.65 17480.0 !PITZ2001 O*CC*CC*CJ=C2H2+CJ*CC*O 3.00E+13 0.0 43710.0 !PITZ2001 O*CC*CC*CJ+O2=O*CC*CC*O+HCO 5.42E+12 0.0 0.0 !PITZ2001 O*CC*CCJC*O+O2=HCOHCO+C*OCJC*O 2.78E+08 -0.07 13940.0 !PITZ2001 O*CC*CCJC*O+O2=O*CC*CC*O+O*CHOJ 1.62E+09 -0.03 18800.0 !PITZ2001 O*CC*CCJC*O+H=C*OC*CCJ+HCO 2.18E+58 -12.39 33110.0 !PITZ2001 O*CC*CCJC*O=O*CJC*CCC*O 8.90E+22 -3.54 23480.0 !PITZ2001 O*CJC*CCC*O+O2=C*OCCJC*O+CO2 1.00E+30 -5.43 16210.0 !PITZ2001 O*CJC*CCC*O+O2=CYC4H5O21+CO2 1.90E+36 -7.7 13760.0 !PITZ2001 O*CJC*CCC*O+O2=C*CCCO2J+CO2 2.24E+11 -1.07 8880.0 !PITZ2001 C*OCC*CJ+CO=O*CJC*CCC*O 1.50E+11 0.00 4800.0 !PITZ2001 O*CJC*CCC*O+O=C*OCC*CJ+CO2 1.50E+14 0.0 0.0 !PITZ2001 O*CJC*CC*C=NC4H5+CO 7.11E+51 -11.89 43810.0 !PITZ2001 O*CJC*CC*C+O=NC4H5+CO2 1.00E+10 0.0 0.0 !PITZ2001 O*CJC*CC*C+H=NC4H5+HCO 1.00E+12 0.0 0.0 !PITZ2001 O*CC*CC*O+H=O*CC*CCJ*O+H2 2.64E+13 0.00 3300.0 !PITZ2001 O*CC*CC*O+O=O*CC*CCJ*O+OH 1.19E+13 0.00 1868.0 !PITZ2001 O*CC*CC*O+OH=O*CC*CCJ*O+H2O 1.85E+07 1.5 -960.0 !PITZ2001 O*CC*CC*O+CH3=O*CC*CCJ*O+CH4 5.22E+06 1.78 5911.0 !PITZ2001 O*CC*CC*O+HO2=O*CC*CCJ*O+H2O2 6.02E+12 0.00 11930.0 !PITZ2001 O*CC*CC*O+CH3OO=O*CC*CCJ*O+CH3OOH 6.02E+12 0.00 11930.0 !PITZ2001 CJ*CC*O+CO=O*CC*CCJ*O 1.51E+11 0.0 4810.0 !PITZ2001 C*OC*CCJ+O2=CH2O+C*OCJC*O 7.18E+49 -11.41 39820.0 !PITZ2001 C*OC*CCJ+O=HCO+C2H3CHO 1.00E+14 0.0 0.0 !PITZ2001 C*CCCO2J=AC3H5+CO2 1.00E+13 0.0 6000.0 !PITZ2001 C*OCCJC*O+O2=C*OCC*O + O*CHOJ 6.29E+05 1.65 17480.0 !PITZ2001 C*OCCJC*O=C2H3CHO+HCO 1.44E+34 -6.77 33260.0 !PITZ2001 C*OCCJC*O=CYC4H5O21 3.34E+05 1.41 36780.0 !PITZ2001 C*OCCC*O+H=H2+C*OCCCJ*O 2.29E+10 1.05 3279.0 !PITZ2001 C*OCCC*O+OH=H2O+C*OCCCJ*O 3.49E+09 1.18 -447.0 !PITZ2001 C*OCCCJ*O+O2=C2H4+DHCO2J 1.61E+45 -9.92 20670.0 !PITZ2001 CH2CH2CHO+CO=C*OCCCJ*O 1.50E+11 0.00 4800.0 !PITZ2001 C*OCC*CJ+O2=C2H3CHO+O*CHOJ 1.47E+03 2.25 650.0 !PITZ2001 C*OCC*CJ+O2=C*OCC*O+HCO 5.42E+12 0.0 0.0 !PITZ2001 C*CC*C*O+OH=CJ*CC*C*O+H2O 2.02E+13 0.0 5933.0 !PITZ2001 C*CC*C*O+H=C*CCCJ*O 1.69E+07 1.03 -550.0 !PITZ2001 C*CC*C*O+H=AC3H5+CO 6.60E+13 -0.02 2740.0 !PITZ2001 C*CCCJ*O=CO+AC3H5 6.12E+05 0.92 -1120.0 !PITZ2001 C*OCC*O+O =CH2CHO+O*CHOJ 6.00E+12 0.0 0.0 !PITZ2001 C*OCJC*O+O2=HCOHCO+O*CHOJ 4.12E+13 -0.46 21710.0 !PITZ2001 CJ*CC*O=C2H3CO 1.40E+09 0.98 32100.0 !PITZ2001 C2H2+HCO=CJ*CC*O 7.77E+06 1.41 7755.0 !PITZ2001 CJ*CC*O+O2=HCOHCO+HCO 5.42E+12 0.0 0.0 !PITZ2001 AC3H5+OH=AC3H4+H2O 6.03E+12 0.0 0.0 !PITZ2001 DHCO2J=CO2+O*CHOJ 3.00E+13 0.0 4000.0 !PITZ2001 C*OCJOH+O2=O*CHOJ+HOCHO 2.82E+22 -3.68 11660.0 !PITZ2001 HCOHCO=HCO+HCO 9.01E+14 0.0 64100.0 !PITZ2001 HCOHCO+O2=HO2+HCOCJ*O 6.03E+13 0.0 39900.0 !PITZ2001 HCOHCO+OH=H2O+HCOCJ*O 3.43E+09 1.18 -447.0 !PITZ2001 HCOHCO+O=OH+HCOCJ*O 4.16E+11 0.57 2762.0 !PITZ2001 HCOHCO+H=H2+HCOCJ*O 2.29E+10 1.05 3279.0 !PITZ2001 HCOCJ*O+O2=O*CHOJ+CO2 7.27E+25 -3.97 6890.0 !PITZ2001 HCOCJ*O=CO+HCO 4.20E+12 0.0 10800.0 !PITZ2001 O*CHOJ+O=OH+CO2 6.00E+12 0.0 0.0 !PITZ2001 O*CHOJ+OH=H2O+CO2 6.00E+12 0.0 0.0 !PITZ2001 O*CHOJ=CO2+H 1.75E+12 0.307 32920.0 !PITZ2001 CH3OCO=CH3O+CO 5.831E+12 0.00 19280.0 !PITZ2001 REV/ 1.500E+11 0.00 4800.0 / CH3OCO=CH3+CO2 1.185E+12 -0.03 12620.0 !PITZ2001 REV/ 1.500E+11 0.00 35200.0 / C3H3+C3H3=C6H5+H 1.05E+54 -11.88 28760.0 !PITZ2001 PLOG / 0.03947 1.05E+54 -11.88 28760.0 / PLOG / 1.0 1.70E+48 -9.98 36760.0 / PLOG / 10.0 3.67E+26 -3.88 28960.0 / C3H3+C3H3=FULVENE 6.31E+76 -19.07 31540.0 !PITZ2001 PLOG / 0.03947 6.31E+76 -19.07 31540.0 / PLOG / 1.0 1.38E+66 -15.66 28260.0 / PLOG / 10.0 1.26E+56 -12.61 23520.0 / C3H3+C3H3=C*CC(C#C)*C 1.32E+77 -19.00 33330.0 !PITZ2001 PLOG / 0.03947 1.32E+77 -19.00 33330.0 / PLOG / 1.0 4.89E+60 -14.02 25730.0 / PLOG / 10.0 1.48E+55 -12.30 23620.0 / C3H3+C3H3=C6H6 1.82E+74 -18.14 31900.0 !PITZ2001 PLOG / 0.03947 1.82E+74 -18.14 31900.0 / PLOG / 1.0 3.16E+55 -12.55 22260.0 / PLOG / 10.0 3.89E+50 -11.01 20320.0 / C*CC(C#C)*C=FULVENE 5.75E+76 -18.67 95530.0 !PITZ2001 PLOG / 0.03947 5.75E+76 -18.67 95530.0 / PLOG / 1.0 2.34E+56 -12.55 86410.0 / PLOG / 10.0 4.90E+26 -4.14 65420.0 / C*CC(C#C)*C=C6H6 6.76E+98 -24.58 122300.0 !PITZ2001 PLOG / 0.03947 6.76E+98 -24.58 122300.0 / PLOG / 1.0 1.62E+53 -11.34 100200.0 / PLOG / 10.0 2.82E+51 -10.68 107000.0 / C*CC(C#C)*C=C6H5+H 2.69E+84 -20.14 121900.0 !PITZ2001 PLOG / 0.03947 2.69E+84 -20.14 121900.0 / PLOG / 1.0 4.17E+77 -17.68 133500.0 / PLOG / 10.0 3.09E+43 -7.93 118700.0 / FULVENE=C6H6 5.75E+81 -19.36 121500.0 !PITZ2001 PLOG / 0.03947 5.75E+81 -19.36 121500.0 / PLOG / 1.0 1.45E+45 -8.90 97000.0 / PLOG / 10.0 2.95E+31 -4.97 88470.0 / FULVENE=C6H5+H 2.57E+97 -23.61 153500.0 !PITZ2001 PLOG / 0.03947 2.57E+97 -23.61 153500.0 / PLOG / 1.0 2.24E+68 -14.65 142600.0 / PLOG / 10.0 8.51E+24 -2.51 113300.0 / FULVENE+H=FULVENYL+H2 3.03E+02 3.3 5690.0 !PITZ2001 FULVENE+OH=FULVENYL+H2O 1.63E+08 1.42 1454.0 !PITZ2001 FULVENYL+H=C6H5+H 1.00E+14 0.0 0.0 !PITZ2001 FULVENYL+O2=CYPDONE+HCO 1.00E+12 0.0 0.0 !PITZ2001 !******************************************************************************* !CROSS REACTIONS !******************************************************************************* !RECOMBINATION REACTIONS C6H5CH2J+IC4H7A=CR1 1.00E+13 0.0 0.0 !RECOMB. CR1+H=CR2+H2 3.16E+12 0.00 0.0 !EQUAL TO C14H14+H CR1+OH=CR2+H2O 7.00E+10 1.00 -1100.0 !EQUAL TO C14H14+OH CR1+O=CR2+OH 8.40E+11 0.00 -2000.0 !EQUAL TO C14H14+O STYR+TC3H5=CR2 1.00E+13 0.0 0.0 !RECOMB. !DISPLACEMENT REACTIONS OF PHENYL RADICAL WITH ALKENE C6H5+C2H4=STYR+H 2.168E+12 0.0 5007.1 !TSANG1991 C6H5+C3H6=CR3+H 2.168E+12 0.0 5007.1 !TSANG1991 C6H5+C3H6=STYR+CH3 2.168E+12 0.0 5007.1 !TSANG1991 C6H5+C3H6=CR4+H 2.168E+12 0.0 5007.1 !TSANG1991 C6H5+IC4H8=CR3+CH3 2.168E+12 0.0 5007.1 !TSANG1991 C6H5+IC4H8=CR5+H 2.168E+12 0.0 5007.1 !TSANG1991 CH3+C6H5C2H2=CR3 1.00E+13 0.0 0.0 !RECOMB. C6H5C2H2+H=STYR 1.00E+13 0.0 0.0 !RECOMB. C6H5CH2J+C2H3=CR4 1.00E+13 0.0 0.0 !RECOMB. C6H5CH2J+TC3H5=CR5 1.00E+13 0.0 0.0 !RECOMB. C6H5C2H2+O2=C6H5CJO+CH2O 4.50E+16 -1.39 1000.0 !BOUNACEUR2005 C6H5CH2J+AC3H4=C6H5CH3+C3H3 3.40E+02 3.20 4346.0 !VEREECKEN20022003 C6H5CH2J+AC3H4=C6H5C2H4+C2H2 1.00E+04 2.53 2848.0 !VEREECKEN20022003 C6H5CH2J+AC3H4=C10H10+H 0.79E+04 2.53 2848.0 !VEREECKEN20022003 C10H10+OH=C10H9+H2O 5.00E+06 2.00 0.0 !BATTIN-LECLERC2006 C10H10+H=C10H9+H2 2.00E+05 2.50 2500.0 !BATTIN-LECLERC2006 C10H10+O=C10H9+OH 7.00E+11 0.70 6000.0 !BATTIN-LECLERC2006 NAPH+H=C10H9 5.00E+14 0.00 5000.0 !BATTIN-LECLERC2006 !H ATOM ABSTRACTION REACTIONS C6H5CH3+NC7H15A=C6H5CH2J+NC7H16 1.00E+11 0.0 12000.0 !ANDRAE2007 C6H5CH3+NC7H15B=C6H5CH2J+NC7H16 1.00E+11 0.0 12000.0 !ANDRAE2007 C6H5CH3+NC7H15C=C6H5CH2J+NC7H16 1.00E+11 0.0 12000.0 !ANDRAE2007 C6H5CH3+NC7H15D=C6H5CH2J+NC7H16 1.00E+11 0.0 12000.0 !ANDRAE2007 C6H5CH3+IC8H17A=C6H5CH2J+IC8H18 1.00E+11 0.0 12000.0 !ANDRAE2007 C6H5CH3+IC8H17B=C6H5CH2J+IC8H18 1.00E+11 0.0 12000.0 !ANDRAE2007 C6H5CH3+IC8H17C=C6H5CH2J+IC8H18 1.00E+11 0.0 12000.0 !ANDRAE2007 C6H5CH3+IC8H17D=C6H5CH2J+IC8H18 1.00E+11 0.0 12000.0 !ANDRAE2007 C6H5CH3+IC4H7A=C6H5CH2J+IC4H8 1.60E+12 0.0 15100.0 !BOUNACEUR2005,TABLEV ESTIMATED D C6H5CH3+AC3H5=C6H5CH2J+C3H6 1.60E+12 0.0 15100.0 !BOUNACEUR2005,TABLEV ESTIMATED D C6H5CH3+SC3H5=C6H5CH2J+C3H6 1.60E+12 0.0 11100.0 !BOUNACEUR2005,TABLEV ESTIMATED D C6H5CH3+TC3H5=C6H5CH2J+C3H6 1.60E+12 0.0 11100.0 !BOUNACEUR2005,TABLEV ESTIMATED D C6H5CHO+NC7H15A=C6H5CJO+NC7H16 1.30E+12 0.0 7500.0 !BOUNACEUR2005,TABLEV ESTIMATED R C6H5CHO+NC7H15B=C6H5CJO+NC7H16 1.30E+12 0.0 7500.0 !BOUNACEUR2005,TABLEV ESTIMATED R C6H5CHO+NC7H15C=C6H5CJO+NC7H16 1.30E+12 0.0 7500.0 !BOUNACEUR2005,TABLEV ESTIMATED R C6H5CHO+NC7H15D=C6H5CJO+NC7H16 1.30E+12 0.0 7500.0 !BOUNACEUR2005,TABLEV ESTIMATED R C6H5CHO+IC8H17A=C6H5CJO+IC8H18 1.30E+12 0.0 7500.0 !BOUNACEUR2005,TABLEV ESTIMATED R C6H5CHO+IC8H17B=C6H5CJO+IC8H18 1.30E+12 0.0 7500.0 !BOUNACEUR2005,TABLEV ESTIMATED R C6H5CHO+IC8H17C=C6H5CJO+IC8H18 1.30E+12 0.0 7500.0 !BOUNACEUR2005,TABLEV ESTIMATED R C6H5CHO+IC8H17D=C6H5CJO+IC8H18 1.30E+12 0.0 7500.0 !BOUNACEUR2005,TABLEV ESTIMATED R C6H5CHO+IC4H7A=C6H5CJO+IC4H8 1.30E+12 0.0 11500.0 !BOUNACEUR2005,TABLEV ESTIMATED R C6H5CHO+AC3H5=C6H5CJO+C3H6 1.30E+12 0.0 11500.0 !BOUNACEUR2005,TABLEV ESTIMATED R C6H5CHO+SC3H5=C6H5CJO+C3H6 1.30E+12 0.0 7500.0 !BOUNACEUR2005,TABLEV ESTIMATED R C6H5CHO+TC3H5=C6H5CJO+C3H6 1.30E+12 0.0 7500.0 !BOUNACEUR2005,TABLEV ESTIMATED R C6H5CHO+C2H3=C6H5CJO+C2H4 1.30E+12 0.0 7500.0 !BOUNACEUR2005,TABLEV ESTIMATED R C6H5+NC7H16=C6H6+NC7H15A 9.00E+11 0.0 15000.0 !ANDRAE2007 C6H5+NC7H16=C6H6+NC7H15B 2.00E+11 0.0 12500.0 !ANDRAE2007 C6H5+NC7H16=C6H6+NC7H15C 1.00E+11 0.0 10000.0 !ANDRAE2007 C6H5+NC7H16=C6H6+NC7H15D 6.00E+11 0.0 15000.0 !ANDRAE2007 C6H5+IC8H18=C6H6+IC8H17A 9.00E+11 0.0 15500.0 !ANDRAE2007 C6H5+IC8H18=C6H6+IC8H17B 2.00E+11 0.0 13000.0 !ANDRAE2007 C6H5+IC8H18=C6H6+IC8H17C 1.00E+11 0.0 11000.0 !ANDRAE2007 C6H5+IC8H18=C6H6+IC8H17D 6.00E+11 0.0 15500.0 !ANDRAE2007 C6H6+IC4H7A=C6H5+IC4H8 6.30E+11 0.0 20000.0 !DACOSTA2003,TABLEIV ESTIMATED A C6H6+AC3H5=C6H5+C3H6 6.30E+11 0.0 20000.0 !BOUNACEUR2005,TABLEV ESTIMATED A C6H6+SC3H5=C6H5+C3H6 6.30E+11 0.0 15000.0 !BOUNACEUR2005,TABLEV ESTIMATED A C6H6+TC3H5=C6H5+C3H6 6.30E+11 0.0 15000.0 !BOUNACEUR2005,TABLEV ESTIMATED A C6H6+C2H3=C6H5+C2H4 6.30E+11 0.0 15000.0 !BOUNACEUR2005,TABLEV ESTIMATED A END !------------------------------------------------------------------------------- !------------------------------------------------------------------------------- !REFERENCE !ALZUETA, M.U., OLIVA, M., GLARBORG, P., INT. 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