!MECHANISM C1-4 Gas phase chemistry, Combustion, Partial oxidation !*********************************************************************** !**** * !**** Gas phase reaction mechanism for combutsion and * !**** partial oxidation of C1-C4 alkanes * !**** * !**** * !**** Version 1.0 December 2003 * !**** * !**** Raul Quiceno, Jürgen Warnatz, Olaf Deutschmann * !**** IWR, Heidelberg University, Germany * !**** Contact: mail@detchem.com (O. Deutschmann) * !**** * !**** References: * !**** R. Quiceno, PhD thesis, University of Heidelberg * !**** R. Quiceno, O. Deutschmann, J. Warnatz, * !**** European Combustion Meeting 2005. Louvain-la-Neuve, * !**** 3-6 April 2005, Belgian Section of the Combustion * !**** Institute paper, Chemical kinetics section, paper 29 * !**** www.detchem.com/mechanisms * !**** * !**** * !**** Kinetic data format: DETCHEM * !**** k = A * T**b * exp (-Ea/RT) A b Ea * !**** (cm,mol,s) - kJ/mol * !**** * !**** + some reactions in TROE nomenclature * !**** * !**** see manuals on www.detchem.com for details * !**** * !**** The kinetic data of the backward reactions of * !**** reactions are calculated * !**** from thermodynamics (k_b = k_f /K) * !**** * !**** * !**** CHEMKIN format * !**** * !*********************************************************************** ELEMENTS C H O END SPECIES 1-2C3HP 1-2C4HP 1-3C3HP 1-3C4HP 1-4C4HP 1-C4H8 1-OC3O2 1-OC4O2 1C3OOH2 1C4OOH2 1CH2 1OC3HP2 1OC3HP3 1OC4HP2 1OC4HP3 1OC4HP4 1OO3OOH2 1OO4OOH2 2-1C4HP 2-3C4HP 2-3MOXI 2-4C4HP 2-C4H8 2-OC3O1 2-OC4O1 2C2OOH1 2C3H5OCY 2C3OOH1 2C4OOH1 2EOXI 2EOXIYL 2MOXE 2MOXI 2OC3HP1 2OC4HP1 2OC4HP3 2OC4HP4 2OO3OOH1 2OO4OOH1 3-OC3O1 3-OC4O1 3-OC4O2 3C2H4CHO 3C3OOH1 3C4OOH1 3C4OOH2 3CH2 3OO3OOH1 3OO4OOH1 3OO4OOH2 4-OC4O1 4-OC4O2 4C4OOH1 4C4OOH2 4OO4OOH1 4OO4OOH2 C C-2-C4H8 C2H C2H2 C2H3 C2H3O C2H4 C2H5 C2H5CHO C2H5CO C2H5O C2H5O2 C2H5OH C2H5OOH C2H6 C3H2 C3H3 C3H4 C3H5 C3H6 C3H7CO C3H8 C4H10 C4H2 C4H6 C4H7 CH CH2CH2OH CH2CHO CH2CO CH2O CH2OH CH3 CH3CHO CH3CHOH CH3CO CH3CO2 CH3CO3 CH3CO3H CH3COCH2 CH3COCH3 CH3O CH3O2 CH3O2H CH3OH CH4 CHO CO CO2 H H2 H2O H2O2 HCCO HO2 I-C3H7 I-C3H7O I-C3H7O2 I-C4H10 I-C4H7 I-C4H8 I-C4H9 IC3H7OOH N-C3H7 N-C3H7O N-C3H7O2 NC3H7OOH O O2 OH OOC2OH OXETAN OXIRAN P-C4H9 P-C4H9O P-C4H9O2 P-C4OOH S-C4H9 S-C4H9O S-C4H9O2 S-C4OOH T-C4H9 THF THFYL END REACTIONS KJOULES/MOLE O2 + H <=> OH + O 9.756E+13 0.000 62.100 O + H2 <=> OH + H 5.060E+04 2.670 26.300 OH + H2 <=> H2O + H 1.000E+08 1.600 13.800 OH + OH <=> O + H2O 1.500E+09 1.140 0.420 H + H +M <=> H2 +M 1.800E+18 -1.000 0.000 O + O +M <=> O2 +M 2.900E+17 -1.000 0.000 OH + H +M <=> H2O +M 5.530E+22 -2.000 0.000 O2 + H +M <=> HO2 +M 2.100E+18 -0.800 0.000 HO2 + H <=> OH + OH 1.500E+14 0.000 3.800 HO2 + H <=> O2 + H2 3.000E+13 0.000 4.000 HO2 + H <=> O + H2O 3.000E+13 0.000 7.200 O + HO2 <=> OH + O2 2.000E+13 0.000 0.000 OH + HO2 <=> O2 + H2O 6.000E+13 0.000 0.000 HO2 + HO2 <=> O2 + H2O2 4.220E+14 0.000 50.140 HO2 + HO2 <=> O2 + H2O2 1.320E+11 0.000 -6.820 OH + OH (+M) <=> H2O2 (+M) 7.230E+19 -0.370 0.000 LOW / 5.530E+13 -0.760 0.000 / TROE / 0.5 0. 0. 0. / H2O2 + H <=> HO2 + H2 1.700E+12 0.000 15.700 H2O2 + H <=> OH + H2O 1.000E+13 0.000 15.000 O + H2O2 <=> OH + HO2 9.630E+06 2.000 16.630 OH + H2O2 <=> HO2 + H2O 5.400E+12 0.000 4.200 OH + CO <=> H + CO2 4.760E+07 1.230 0.290 HO2 + CO <=> OH + CO2 1.500E+14 0.000 98.700 O + CO +M <=> CO2 +M 1.540E+15 0.000 12.560 O2 + CO <=> O + CO2 2.500E+12 0.000 200.000 CO + CH3O <=> CO2 + CH3 1.580E+13 0.000 49.400 O + CH <=> H + CO 4.000E+13 0.000 0.000 O2 + CH <=> O + CHO 3.000E+13 0.000 0.000 CO2 + CH <=> CO + CHO 3.400E+12 0.000 2.900 H2O + CH <=> H + CH2O 4.560E+12 0.000 -3.200 H2O + CH <=> OH + 3CH2 1.140E+12 0.000 -3.200 OH + CH <=> H + CHO 3.000E+13 0.000 0.000 CHO +M <=> H + CO +M 4.500E+14 0.000 66.000 H + CHO <=> H2 + CO 9.000E+13 0.000 0.000 O + CHO <=> OH + CO 3.000E+13 0.000 0.000 O + CHO <=> H + CO2 3.000E+13 0.000 0.000 OH + CHO <=> H2O + CO 1.000E+14 0.000 0.000 O2 + CHO <=> HO2 + CO 2.400E+12 0.000 0.000 O2 + CHO <=> OH + CO2 6.000E+11 0.000 0.000 CHO + CHO <=> CO + CH2O 3.000E+13 0.000 0.000 HO2 + CHO <=> OH + H + CO2 3.000E+13 0.000 0.000 H + 3CH2 <=> H2 + CH 6.000E+12 0.000 -7.500 O + 3CH2 => H + H + CO 7.600E+13 0.000 0.000 O + 3CH2 <=> H2 + CO 4.400E+13 0.000 0.000 3CH2 + 3CH2 <=> H2 + C2H2 1.200E+13 0.000 3.400 3CH2 + 3CH2 <=> H + H + C2H2 1.100E+14 0.000 3.400 CH3 + 3CH2 <=> H + C2H4 4.200E+13 0.000 0.000 O2 + 3CH2 <=> OH + H + CO 5.000E+12 0.000 6.270 O2 + 3CH2 <=> H2 + CO2 5.800E+12 0.000 6.270 O2 + 3CH2 <=> O + CH2O 2.400E+12 0.000 6.270 1CH2 +M <=> 3CH2 +M 1.200E+13 0.000 0.000 O2 + 1CH2 <=> OH + H + CO 3.100E+13 0.000 0.000 H + CH3 <=> H2 + 1CH2 6.000E+13 0.000 63.200 CH2O +M <=> H + CHO +M 1.400E+36 -5.540 404.580 CH2O +M <=> H2 + CO +M 3.250E+36 -5.540 404.580 H + CH2O <=> H2 + CHO 1.270E+08 1.620 9.000 O + CH2O <=> OH + CHO 4.150E+11 0.570 11.600 OH + CH2O <=> H2O + CHO 3.400E+09 1.180 -1.870 HO2 + CH2O <=> H2O2 + CHO 3.000E+12 0.000 54.700 CH3 + CH2O <=> CHO + CH4 7.830E-08 6.100 8.200 O2 + CH2O <=> HO2 + CHO 6.000E+13 0.000 170.700 CH3 +M <=> H + 3CH2 +M 1.000E+16 0.000 379.000 CH3 +M <=> H2 + CH +M 6.900E+14 0.000 345.030 CH3 + 1CH2 <=> H + C2H4 1.600E+13 0.000 -2.380 O + CH3 <=> H + CH2O 8.430E+13 0.000 0.000 CH4 (+M) <=> H + CH3 (+M) 2.400E+22 0.000 439.000 LOW / 1.290E+12 0.000 379.970 / TROE / 0. 1350. 1. 7830. / OH + CH3 => H + CH3O 2.260E+14 0.000 64.800 H + CH3O => OH + CH3 4.750E+16 -0.130 88.000 OH + CH3 => H2O + 1CH2 2.300E+13 0.000 0.000 H2O + 1CH2 => OH + CH3 7.900E+13 0.000 0.000 O2 + CH3 <=> OH + CH2O 3.300E+11 0.000 37.400 HO2 + CH3 <=> OH + CH3O 1.800E+13 0.000 0.000 HO2 + CH3 <=> O2 + CH4 3.600E+12 0.000 0.000 CH3 + CH3 <=> H2 + C2H4 9.998E+13 0.000 133.860 CH3 + CH3 (+M) <=> C2H6 (+M) 3.610E+19 0.000 0.000 LOW / 3.630E+35 -7.000 11.600 / TROE / 0.62 73. 1180. 0. / CH3O +M <=> H + CH2O +M 5.000E+13 0.000 105.000 H + CH3O <=> H2 + CH2O 1.800E+13 0.000 0.000 O2 + CH3O <=> HO2 + CH2O 3.000E+10 0.000 7.300 CH3O + CH2O <=> CHO + CH3OH 1.150E+11 0.000 5.200 O + CH3O <=> OH + CH2O 1.800E+12 0.000 0.000 O2 + CH3 <=> O + CH3O 4.041E+13 0.000 122.200 OH + CH3O <=> H2O + CH2O 1.810E+13 0.000 0.000 CH2OH +M <=> H + CH2O +M 5.000E+13 0.000 105.000 H + CH2OH <=> H2 + CH2O 3.000E+13 0.000 0.000 O2 + CH2OH <=> HO2 + CH2O 1.570E+15 -1.000 0.000 O2 + CH2OH <=> HO2 + CH2O 7.230E+13 0.000 14.970 H + CH2OH <=> OH + CH3 1.000E+13 0.000 0.000 O2 + CH3 (+M) <=> CH3O2 (+M) 7.800E+14 1.200 0.000 LOW / 1.650E+20 -3.300 0.000 / TROE / 0.495 2325.5 10. 0. / CH3O2 + CH2O <=> CHO + CH3O2H 2.000E+12 0.000 48.740 CH3O2 + CH3 <=> CH3O + CH3O 2.400E+13 0.000 0.000 HO2 + CH3O2 <=> O2 + CH3O2H 2.400E+11 0.000 -6.600 CH3O2 + CH3O2 <=> O2 + CH3OH + CH2O 2.800E+10 0.000 -3.300 CH3O2 + CH3O2 <=> O2 + CH3O + CH3O 2.700E+10 0.000 -3.300 CHO + CH3O2 => H + CO2 + CH3O 3.000E+13 0.000 0.000 CH3O2 + CH3CO => CO2 + CH3O + CH3 2.400E+13 0.000 0.000 OH + CH3O2 <=> O2 + CH3OH 6.000E+13 0.000 0.000 H + CH4 <=> H2 + CH3 1.047E+08 1.900 44.890 O + CH4 <=> OH + CH3 6.923E+08 1.560 35.500 OH + CH4 <=> H2O + CH3 1.000E+07 1.830 11.600 HO2 + CH4 <=> H2O2 + CH3 1.100E+13 0.000 103.100 CH4 + CH <=> H + C2H4 3.000E+13 0.000 -1.700 CH4 + 3CH2 <=> CH3 + CH3 4.300E+12 0.000 42.000 CH4 + CH3O <=> CH3OH + CH3 4.300E+12 0.000 42.000 CH4 + CH3O2 <=> CH3O2H + CH3 1.810E+11 0.000 77.800 OH + CH3 (+M) <=> CH3OH (+M) 6.000E+19 0.000 0.000 LOW / 4.560E+38 -8.200 0.000 / TROE / 0.82 200. 1438. 0. / H + CH3OH <=> H2 + CH2OH 1.640E+07 2.000 18.890 O + CH3OH <=> OH + CH2OH 1.630E+13 0.000 21.030 O + CH3OH <=> OH + CH3O 1.000E+13 0.000 19.560 OH + CH3OH <=> H2O + CH2OH 1.440E+06 2.000 -3.500 OH + CH3OH <=> H2O + CH3O 1.000E+13 0.000 -7.100 HO2 + CH3OH <=> H2O2 + CH2OH 9.640E+10 0.000 52.580 CH3OH + CH3 <=> CH4 + CH2OH 9.000E+12 0.000 41.100 CH3OH + CH3O <=> CH3OH + CH2OH 3.000E+11 0.000 17.000 O2 + CH3OH <=> HO2 + CH2OH 2.050E+13 0.000 189.100 CH3O + CH3O <=> CH3OH + CH2O 2.320E+13 0.000 0.000 CH3O2H <=> OH + CH3O 6.000E+14 0.000 177.100 OH + CH3O2H <=> H2O + CH3O2 7.300E+11 0.000 -1.000 O + CH3O2H <=> OH + CH3O2 1.990E+13 0.000 19.900 H2O2 + CH3O2 <=> HO2 + CH3O2H 2.400E+12 0.000 41.800 CH3OH + CH3O2 <=> CH3O2H + CH2OH 1.810E+11 0.000 57.700 O + C2H <=> CO + CH 2.410E+11 0.000 1.910 O2 + C2H <=> O + HCCO 6.000E+11 0.000 0.000 O2 + C2H <=> CO2 + CH 4.700E+13 -0.160 0.000 CH4 + C2H <=> CH3 + C2H2 1.810E+12 0.000 0.000 HCCO + H <=> CO + 3CH2 1.500E+14 0.000 0.000 O + HCCO => H + CO + CO 9.640E+13 0.000 0.000 HCCO + 3CH2 <=> CO + C2H3 3.000E+13 0.000 0.000 CO + CH <=> HCCO 2.800E+11 0.000 -7.100 H + C2H (+M) <=> C2H2 (+M) 1.000E+23 -1.000 0.000 LOW / 3.750E+27 -4.800 8.940 / TROE / 0.646 132. 1315. 5566. / O2 + C2H2 <=> OH + HCCO 2.000E+08 1.500 126.000 H2 + C2H <=> H + C2H2 7.880E+05 2.390 1.446 O + C2H2 <=> CO + 3CH2 2.200E+06 2.100 6.570 O + C2H2 <=> HCCO + H 5.100E+06 2.100 6.570 OH + C2H2 <=> H2O + C2H 3.385E+07 2.000 58.520 C2H2 + C2H <=> H + C4H2 1.810E+14 0.000 1.940 CO + 3CH2 (+M) <=> CH2CO (+M) 8.100E+17 0.500 29.650 LOW / 2.690E+27 -5.110 18.810 / TROE / 0.591 275. 1226. 5185. / H + CH2CO <=> CO + CH3 3.280E+10 0.851 11.900 O + CH2CO <=> CO + CH2O 7.500E+11 0.000 5.700 O + CH2CO => H + CO + CHO 7.500E+11 0.000 5.700 O + CH2CO <=> CHO + CHO 7.500E+11 0.000 5.700 OH + CH2CO <=> CO2 + CH3 2.520E+12 0.000 0.000 OH + CH2CO <=> CHO + CH2O 4.680E+12 0.000 0.000 O2 + CH2CO <=> CO2 + CH2O 1.000E+08 0.000 0.000 C2H3 (+M) <=> H + C2H2 (+M) 2.000E+20 0.000 166.300 LOW / 1.000E+36 -7.500 190.400 / TROE / 0.35 0. 0. 0. / OH + C2H3 <=> H2O + C2H2 3.011E+13 0.000 0.000 H + C2H3 <=> H2 + C2H2 1.200E+13 0.000 0.000 O + C2H3 <=> OH + C2H2 1.000E+13 0.000 0.000 O + C2H3 <=> CO + CH3 1.000E+13 0.000 0.000 O + C2H3 <=> CHO + 3CH2 1.000E+13 0.000 0.000 O2 + C2H3 <=> CHO + CH2O 5.721E+13 0.000 -1.000 O2 + C2H3 <=> O + CH2CHO 2.460E+15 -0.780 13.120 O2 + C2H3 <=> HO2 + C2H2 1.340E+06 1.610 -1.610 CO + CH3 (+M) <=> CH3CO (+M) 5.058E+17 0.000 28.770 LOW / 3.109E+08 0.000 15.880 / TROE / 0.6 0. 0. 0. / H + CH3CO <=> H2 + CH2CO 1.150E+13 0.000 0.000 H + CH3CO <=> CHO + CH3 2.150E+13 0.000 0.000 O2 + CH2CHO <=> HO2 + CH2CO 1.100E+11 0.000 0.000 O2 + CH2CHO <=> OH + CO + CH2O 3.200E+10 0.000 0.000 H + CH2CHO <=> CHO + CH3 2.100E+13 0.000 0.000 H + CH2CHO <=> H2 + CH2CO 1.100E+13 0.000 0.000 C2H4 +M <=> H2 + C2H2 +M 3.490E+16 0.000 300.000 C2H4 +M <=> H + C2H3 +M 7.400E+17 0.000 404.000 H + C2H4 <=> H2 + C2H3 3.808E+07 1.930 54.210 O + C2H4 <=> H + CH2CHO 4.700E+06 1.880 0.750 O + C2H4 <=> CHO + CH3 8.100E+06 1.880 0.750 O + C2H4 <=> H2 + CH2CO 6.700E+05 1.880 0.750 O + C2H4 <=> CH2O + 1CH2 3.000E+04 1.880 0.750 O + C2H4 <=> OH + C2H3 1.706E+07 1.910 15.630 OH + C2H4 <=> H2O + C2H3 1.517E+13 0.000 24.860 C2H4 + 1CH2 <=> C3H6 7.240E+13 0.000 0.000 CH + C2H4 <=> H + C3H4 1.343E+14 0.000 -1.440 CH3 + C2H4 <=> CH4 + C2H3 5.011E+11 0.000 63.020 O2 + C2H4 <=> HO2 + C2H3 4.222E+13 0.000 241.120 CH3O + C2H4 <=> CH3OH + C2H3 1.000E+11 0.000 41.800 CH3O + C2H4 <=> CH2O + C2H5 1.200E+12 0.000 28.210 CH3O + C2H4 <=> OXIRAN + CH3 1.200E+12 0.000 60.610 CH2OH + C2H4 <=> CH3OH + C2H3 1.585E+02 3.200 30.010 CH3CHO (+M) <=> CHO + CH3 (+M) 2.200E+21 0.000 342.800 LOW / 5.100E+06 0.000 131.400 / TROE / 0.5 0. 0. 0. / H + CH3CHO <=> H2 + CH3CO 2.150E+09 1.160 10.000 H + CH3CHO <=> H2 + CH2CHO 1.850E+09 1.160 10.000 O + CH3CHO <=> OH + CH3CO 5.600E+12 0.000 7.600 O + CH3CHO <=> OH + CH2CHO 2.400E+11 0.000 7.600 O2 + CH3CHO <=> HO2 + CH3CO 4.000E+13 0.000 164.300 OH + CH3CHO <=> H2O + CH3CO 2.300E+10 0.730 -4.600 OH + CH3CHO <=> H2O + CH2CHO 1.553E+06 2.200 4.180 HO2 + CH3CHO <=> H2O2 + CH3CO 3.100E+12 0.000 50.000 HO2 + CH3CHO <=> H2O2 + CH2CHO 3.000E+13 0.000 62.700 CH3CHO + 3CH2 <=> CH3CO + CH3 1.660E+12 0.000 14.670 CH3CHO + CH3 <=> CH4 + CH3CO 2.050E-06 5.600 10.300 CH3CHO + CH3 <=> CH4 + CH2CHO 1.580E+00 4.000 32.270 H + C2H4 (+M) => C2H5 (+M) 2.000E+15 1.280 5.400 LOW / 6.980E+12 0.000 3.200 / TROE / 0.76 40. 1025. 0. / C2H5 (+M) => H + C2H4 (+M) 8.200E+19 0.000 166.800 LOW / 3.400E+11 0.000 139.600 / TROE / 0.75 97. 1379. 0. / H + C2H5 <=> CH3 + CH3 3.000E+13 0.000 0.000 O + C2H5 <=> H + CH3CHO 5.300E+13 0.000 0.000 O + C2H5 <=> CH3 + CH2O 4.240E+13 0.000 0.000 O + C2H5 <=> OH + C2H4 3.460E+13 0.000 0.000 O2 + C2H5 <=> HO2 + C2H4 1.085E+07 0.000 -23.200 O2 + C2H5 <=> O + C2H5O 1.155E+13 -0.200 117.200 CH3 + C2H5 <=> CH4 + C2H4 1.140E+12 0.000 0.000 C2H5 + C2H5 <=> C2H6 + C2H4 1.400E+12 0.000 0.000 C2H5O <=> H + CH3CHO 2.000E+14 0.000 97.300 C2H5O <=> CH3 + CH2O 1.000E+15 0.000 90.600 O2 + C2H5O <=> HO2 + CH3CHO 6.000E+10 0.000 7.000 OH + C2H5O <=> H2O + CH3CHO 1.000E+14 0.000 0.000 H + C2H5O <=> H2 + CH3CHO 1.000E+14 0.000 0.000 O + C2H5O <=> OH + CH3CHO 1.210E+14 0.000 0.000 CH3CHOH <=> H + CH3CHO 4.999E+13 0.000 91.460 H + CH3CHOH <=> H2 + CH3CHO 1.999E+13 0.000 0.000 OH + CH3CHOH <=> H2O + CH3CHO 1.510E+13 0.000 0.000 O + CH3CHOH <=> OH + CH3CHO 9.034E+13 0.000 0.000 O2 + CH3CHOH <=> HO2 + CH3CHO 9.998E+12 0.000 23.280 H + CH2CH2OH <=> H2 + CH3CHO 5.000E+13 0.000 0.000 C2H5OH <=> CH3 + CH2OH 3.100E+15 0.000 337.200 C2H5OH <=> H2O + C2H4 1.000E+14 0.000 320.900 OH + C2H5 <=> C2H5OH 6.709E+13 0.000 0.000 OH + C2H5OH <=> H2O + CH3CHOH 5.250E+06 2.000 1.900 OH + C2H5OH <=> H2O + C2H5O 1.150E+06 2.000 3.800 OH + C2H5OH <=> H2O + CH2CH2OH 8.130E+06 2.000 2.500 O + C2H5OH <=> OH + CH3CHOH 6.000E+05 2.460 7.730 O + C2H5OH <=> OH + C2H5O 4.790E+13 0.000 28.700 O + C2H5OH <=> OH + CH2CH2OH 2.000E+12 0.000 39.700 H + C2H5OH <=> H2O + C2H5 5.900E+11 0.000 14.400 H + C2H5OH <=> H2 + CH3CHOH 4.400E+12 0.000 19.100 H + C2H5OH <=> H2 + CH2CH2OH 2.000E+12 0.000 39.710 H + C2H5OH <=> H2 + C2H5O 1.760E+12 0.000 19.100 HO2 + C2H5OH <=> H2O2 + CH3CHOH 2.000E+13 0.000 71.100 HO2 + C2H5OH <=> H2O2 + CH2CH2OH 1.000E+11 0.000 52.200 HO2 + C2H5OH <=> H2O2 + C2H5O 1.000E+11 0.000 64.800 CHO + C2H5OH <=> CH2O + C2H5O 6.500E+09 0.000 57.200 CH3 + C2H5OH <=> CH4 + CH3CHOH 2.040E+11 0.000 36.400 CH3 + C2H5OH <=> CH4 + CH2CH2OH 3.000E+00 4.000 43.800 CH3 + C2H5OH <=> CH4 + C2H5O 7.490E+10 0.000 39.300 CH3O + C2H5OH <=> CH3OH + CH3CHOH 2.000E+11 0.000 29.300 CH2O + C2H5OH <=> CH3O + C2H5O 1.530E+12 0.000 333.200 C2H5OH + C2H5O <=> CH3CHOH + C2H5OH 2.000E+11 0.000 29.300 O2 + C2H5OH <=> HO2 + CH2CH2OH 4.000E+13 0.000 212.760 O2 + C2H5OH <=> HO2 + CH3CHOH 4.000E+13 0.000 214.020 O2 + C2H5OH <=> HO2 + C2H5O 2.000E+13 0.000 234.000 H + C2H6 <=> H2 + C2H5 1.150E+09 1.900 31.100 O + C2H6 <=> OH + C2H5 9.000E+08 1.500 24.300 OH + C2H6 <=> H2O + C2H5 6.200E+06 2.000 3.600 HO2 + C2H6 <=> H2O2 + C2H5 1.333E+13 0.000 85.600 O2 + C2H6 <=> HO2 + C2H5 6.000E+13 0.000 217.000 C2H6 + 3CH2 <=> CH3 + C2H5 2.200E+13 0.000 36.300 CH3 + C2H6 <=> CH4 + C2H5 9.990E+12 0.000 56.540 CH + C2H6 <=> CH3 + C2H4 1.080E+14 0.000 -1.100 H + C2H5 (+M) <=> C2H6 (+M) 5.420E+18 0.000 0.000 LOW / 1.190E+21 -3.100 0.000 / TROE / 0.842 125. 2219. 6882. / C2H5 + C2H4 <=> C2H6 + C2H3 1.578E+11 0.000 69.192 CH3O + C2H6 <=> CH3OH + C2H5 2.409E+11 0.000 29.680 C2H6 + C2H <=> C2H5 + C2H2 1.200E+12 0.000 0.000 CHO + C2H6 <=> CH2O + C2H5 9.376E+03 2.720 76.300 CH3O2 + C2H6 <=> CH3O2H + C2H5 9.836E+10 0.000 62.500 O + C3H3 => CO + C2H3 3.800E+13 0.000 0.000 O2 + C3H3 => HCCO + CH2O 6.000E+12 0.000 0.000 OH + C3H3 <=> H2O + C3H2 2.000E+13 0.000 0.000 O2 + C3H3 <=> CHO + CH2CO 3.010E+14 0.000 12.000 O + C3H4 <=> CH2O + C2H2 1.000E+12 0.000 0.000 O + C3H4 <=> CHO + C2H3 1.000E+12 0.000 0.000 OH + C3H4 <=> CH2O + C2H3 1.000E+12 0.000 0.000 OH + C3H4 <=> CHO + C2H4 1.000E+12 0.000 0.000 O + C3H4 <=> CO + C2H4 7.829E+12 0.000 -6.690 O + C3H4 <=> OH + C3H3 3.434E+04 2.160 20.200 C3H4 +M <=> H + C3H3 +M 1.000E+17 0.000 293.000 H + C3H4 <=> CH3 + C2H2 2.000E+13 0.000 10.000 H + C3H4 <=> H2 + C3H3 1.000E+12 0.000 6.300 C3H4 + C2H <=> C3H3 + C2H2 1.000E+13 0.000 0.000 CH3 + C3H4 <=> CH4 + C3H3 2.000E+12 0.000 32.200 C3H5 <=> H + C3H4 3.980E+13 0.000 293.100 H + C3H5 <=> H2 + C3H4 1.810E+13 0.000 0.000 O2 + C3H5 <=> HO2 + C3H4 1.000E+12 0.000 94.700 OH + C3H5 <=> H2O + C3H4 6.000E+12 0.000 0.000 O2 + C3H6 <=> HO2 + C3H5 1.900E+12 0.000 163.800 CH3 + C3H5 <=> CH4 + C3H4 2.100E+11 0.000 0.000 C3H5 + C3H5 <=> C3H6 + C3H4 6.020E+10 0.000 -1.100 CH3 + C2H2 <=> C3H5 6.000E+11 0.000 32.400 C3H5 + C2H5 <=> C3H4 + C2H6 9.636E+11 0.000 0.548 C3H5 + C2H5 <=> C3H6 + C2H4 2.589E+12 0.000 0.548 C3H6 <=> CH4 + C2H2 2.108E+12 0.000 292.670 C3H6 <=> CH3 + C2H3 1.100E+21 -1.200 408.800 C3H6 <=> H2 + C3H4 3.017E+12 0.000 296.820 C3H6 <=> H + C3H5 1.000E+13 0.000 326.000 H + C3H6 <=> H2 + C3H5 6.444E+11 0.000 18.600 H + C3H6 <=> CH3 + C2H4 2.610E+08 1.500 8.398 O + C3H6 <=> CH2O + C2H4 5.900E+13 0.000 21.000 O + C3H6 <=> CHO + C2H5 3.600E+12 0.000 0.000 O + C3H6 <=> CH3CO + CH3 5.000E+12 0.000 2.500 O + C3H6 <=> OH + C3H5 1.741E+11 0.700 24.610 OH + C3H6 <=> CH3CHO + CH3 3.400E+11 0.000 0.000 OH + C3H6 <=> H2O + C3H5 2.599E+06 2.000 1.247 CH3 + C3H6 <=> CH4 + C3H5 1.396E+11 0.000 36.500 C3H6 + C2H5 <=> C3H5 + C2H6 1.000E+09 0.000 38.500 N-C3H7 <=> CH3 + C2H4 1.050E+13 0.000 127.080 N-C3H7 <=> H + C3H6 1.260E+13 0.000 161.300 N-C3H7 + H <=> H2 + C3H6 1.813E+12 0.000 0.000 OH + N-C3H7 <=> H2O + C3H6 2.409E+13 0.000 0.000 O2 + N-C3H7 <=> HO2 + C3H6 9.034E+10 0.000 0.000 O2 + N-C3H7 <=> OH + C2H5CHO 1.102E+08 0.000 0.000 N-C3H7 + CH2OH <=> CH3OH + C3H6 4.818E+11 0.000 0.000 N-C3H7 + C2H3 <=> C3H6 + C2H4 3.630E+12 0.000 0.000 N-C3H7 + C2H6 <=> C3H8 + C2H5 7.590E-01 3.820 37.800 N-C3H7 + C2H5 <=> C3H8 + C2H4 1.150E+12 0.000 0.000 N-C3H7 + C2H5 <=> C3H6 + C2H6 2.033E+12 0.000 0.000 N-C3H7 + CH3 <=> CH4 + C3H6 1.944E+13 -0.320 0.000 N-C3H7 + 1CH2 <=> CH3 + C3H6 1.812E+12 0.000 0.000 N-C3H7 + C2H <=> C3H6 + C2H2 1.806E+13 0.000 0.000 N-C3H7 + N-C3H7 <=> C3H8 + C3H6 1.409E+13 0.000 0.000 H + C3H6 <=> I-C3H7 5.704E+09 1.160 3.653 I-C3H7 <=> CH3 + C2H4 2.000E+10 0.000 123.500 O2 + I-C3H7 <=> HO2 + C3H6 2.587E+10 0.000 -10.730 I-C3H7 + C2H5 <=> C3H8 + C2H4 1.024E+13 -0.350 0.000 I-C3H7 + C2H5 <=> C3H6 + C2H6 4.140E+13 -0.350 0.000 I-C3H7 + C2H6 <=> C3H8 + C2H5 2.529E+00 4.200 35.500 I-C3H7 + 1CH2 <=> CH3 + C3H6 5.010E+13 0.000 0.000 I-C3H7 + CH3 <=> CH4 + C3H6 9.409E+10 -0.680 0.000 I-C3H7 + CH2OH <=> CH3OH + C3H6 2.891E+12 0.000 0.000 I-C3H7 + I-C3H7 <=> C3H8 + C3H6 2.115E+14 -0.700 0.000 N-C3H7 + I-C3H7 <=> C3H8 + C3H6 5.131E+13 -0.350 0.000 C3H8 (+M) <=> CH3 + C2H5 (+M) 5.000E+22 0.000 352.800 LOW / 2.830E+12 0.000 271.870 / TROE / 0.76 1946. 38. 0. / C3H8 <=> N-C3H7 + H 1.580E+16 0.000 408.200 C3H8 <=> I-C3H7 + H 6.310E+15 0.000 396.600 H + C3H8 <=> N-C3H7 + H2 1.319E+14 0.000 39.200 I-C3H7 + H2 <=> H + C3H8 2.474E+01 3.280 36.200 O + C3H8 <=> OH + N-C3H7 1.930E+05 2.680 15.540 O + C3H8 <=> OH + I-C3H7 4.774E+05 2.710 8.810 OH + C3H8 <=> N-C3H7 + H2O 2.280E+12 0.000 10.890 OH + C3H8 <=> I-C3H7 + H2O 2.800E+12 0.000 3.600 HO2 + C3H8 <=> N-C3H7 + H2O2 4.760E+03 2.600 68.900 HO2 + C3H8 <=> I-C3H7 + H2O2 9.640E+03 2.600 58.200 CH3 + C3H8 <=> N-C3H7 + CH4 4.523E+13 0.000 62.440 CH3 + C3H8 <=> I-C3H7 + CH4 2.259E+00 3.460 22.950 O2 + C3H8 => N-C3H7 + HO2 2.520E+13 0.000 205.200 N-C3H7 + HO2 => O2 + C3H8 2.080E+12 0.000 0.000 O2 + C3H8 => I-C3H7 + HO2 2.000E+13 0.000 199.300 I-C3H7 + HO2 => O2 + C3H8 2.080E+12 0.000 0.000 CH3O + C3H8 => N-C3H7 + CH3OH 3.000E+11 0.000 29.300 N-C3H7 + CH3OH => CH3O + C3H8 1.220E+10 0.000 38.500 CH3O + C3H8 => I-C3H7 + CH3OH 3.000E+11 0.000 29.300 I-C3H7 + CH3OH => CH3O + C3H8 1.220E+10 0.000 38.500 CHO + C3H8 <=> N-C3H7 + CH2O 2.046E+05 2.500 77.160 CHO + C3H8 <=> I-C3H7 + CH2O 1.085E+07 1.900 71.170 C3H8 + 3CH2 <=> N-C3H7 + CH3 9.030E-01 3.650 29.930 C3H8 + 3CH2 <=> I-C3H7 + CH3 1.506E+00 3.460 31.260 CH3CO + C3H8 <=> N-C3H7 + CH3CHO 4.200E+04 2.600 73.910 CH3CO + C3H8 <=> I-C3H7 + CH3CHO 5.303E+06 2.000 67.930 CH3O2 + C3H8 <=> N-C3H7 + CH3O2H 6.023E+12 0.000 81.060 CH3O2 + C3H8 <=> I-C3H7 + CH3O2H 1.987E+12 0.000 71.330 CH2OH + C3H8 <=> N-C3H7 + CH3OH 1.985E+02 2.950 58.410 CH2OH + C3H8 <=> I-C3H7 + CH3OH 6.021E+01 2.950 50.130 C3H8 + C3H5 <=> I-C3H7 + C3H6 7.869E+01 3.000 3.000 C3H8 + C3H5 <=> N-C3H7 + C3H6 2.352E+02 3.000 3.000 O + C4H2 <=> CO + C3H2 7.890E+12 0.000 5.600 OH + C4H2 <=> CHO + C3H2 6.680E+12 0.000 -1.700 C4H6 <=> C2H3 + C2H3 4.030E+19 -1.000 411.000 C2H4 + C2H3 <=> H + C4H6 7.830E+10 0.000 0.000 O + C4H6 <=> CH2CO + C2H4 1.000E+12 0.000 0.000 O + C4H6 <=> CH2O + C3H4 1.000E+12 0.000 0.000 OH + C4H6 <=> CH2CO + C2H5 1.000E+12 0.000 0.000 OH + C4H6 <=> CH2O + C3H5 2.000E+12 0.000 0.000 OH + C4H6 <=> CH3CHO + C2H3 5.000E+12 0.000 0.000 C4H7 <=> H + C4H6 1.200E+14 0.000 206.400 C4H7 <=> C2H4 + C2H3 1.000E+11 0.000 154.900 H + C4H7 <=> H2 + C4H6 3.160E+12 0.000 0.000 O2 + C4H7 <=> HO2 + C4H6 1.000E+11 0.000 0.000 C4H7 + C4H7 <=> C4H6 + 1-C4H8 3.160E+12 0.000 0.000 C4H7 + C4H7 <=> C4H6 + 2-C4H8 1.600E+12 0.000 41.800 CH3 + C4H7 <=> CH4 + C4H6 1.000E+13 0.000 0.000 C4H7 + C2H3 <=> C4H6 + C2H4 4.000E+12 0.000 0.000 C4H7 + C2H5 <=> C4H6 + C2H6 4.000E+12 0.000 0.000 C4H7 + C2H5 <=> C2H4 + 1-C4H8 5.000E+11 0.000 0.000 C4H7 + C2H5 <=> C2H4 + 2-C4H8 5.000E+11 0.000 0.000 C4H7 + C2H5 <=> C2H4 + C-2-C4H8 5.000E+11 0.000 0.000 C4H7 + C3H5 <=> C4H6 + C3H6 4.000E+13 0.000 0.000 1-C4H8 <=> 2-C4H8 4.000E+11 0.000 251.000 1-C4H8 <=> C-2-C4H8 4.000E+11 0.000 251.000 1-C4H8 <=> CH3 + C3H5 8.000E+16 0.000 307.400 1-C4H8 <=> C2H5 + C2H3 2.000E+18 -1.000 405.200 1-C4H8 <=> H + C4H7 4.110E+18 -1.000 407.700 H + 1-C4H8 <=> H2 + C4H7 5.000E+13 0.000 16.300 H + 1-C4H8 <=> CH3 + C3H6 1.722E+13 0.000 15.000 O + 1-C4H8 <=> CH3CHO + C2H4 1.255E+12 0.000 3.600 O + 1-C4H8 <=> CO + CH3 + C2H5 1.625E+13 0.000 3.600 O + 1-C4H8 <=> CH2O + C3H6 2.505E+12 0.000 0.000 O + 1-C4H8 <=> OH + C4H7 1.300E+13 0.000 18.800 OH + 1-C4H8 <=> CH3CHO + C2H5 1.000E+11 0.000 0.000 OH + 1-C4H8 <=> CO + CH3 + C2H6 1.000E+10 0.000 0.000 OH + 1-C4H8 <=> N-C3H7 + CH2O 6.500E+12 0.000 0.000 OH + 1-C4H8 <=> H2O + C4H7 1.750E+13 0.000 29.100 CH3 + 1-C4H8 <=> CH4 + C4H7 1.000E+11 0.000 30.600 O2 + 1-C4H8 <=> HO2 + C4H7 4.000E+12 0.000 167.400 HO2 + 1-C4H8 <=> H2O2 + C4H7 1.000E+11 0.000 71.400 C2H5 + 1-C4H8 <=> C4H7 + C2H6 1.000E+11 0.000 33.500 C3H5 + 1-C4H8 <=> C4H7 + C3H6 8.000E+10 0.000 51.900 C4H7 + 1-C4H8 <=> C4H7 + 2-C4H8 3.980E+10 0.000 51.900 C4H7 + 1-C4H8 <=> C4H7 + C-2-C4H8 3.980E+10 0.000 51.900 2-C4H8 <=> H + C4H7 4.110E+18 -1.000 407.700 2-C4H8 <=> CH3 + C3H5 6.500E+14 0.000 298.300 H + 2-C4H8 <=> H2 + C4H7 5.000E+12 0.000 14.600 O + 2-C4H8 <=> CH3CHO + C2H4 1.000E+12 0.000 0.000 O + 2-C4H8 <=> I-C3H7 + CHO 6.030E+12 0.000 0.000 OH + 2-C4H8 <=> H2O + C4H7 1.010E+14 0.000 12.800 OH + 2-C4H8 <=> CH3CHO + C2H5 1.514E+13 0.000 0.000 CH3 + 2-C4H8 <=> CH4 + C4H7 1.000E+11 0.000 34.300 C-2-C4H8 <=> 2-C4H8 1.000E+13 0.000 259.400 C-2-C4H8 <=> H2 + C4H6 1.000E+13 0.000 274.100 C-2-C4H8 <=> H + C4H7 4.074E+18 -1.000 407.300 C-2-C4H8 <=> CH3 + C3H5 1.254E+15 0.000 298.300 H + C-2-C4H8 <=> H2 + C4H7 1.000E+12 0.000 14.600 OH + C-2-C4H8 <=> H2O + C4H7 1.255E+14 0.000 12.800 OH + C-2-C4H8 <=> CH3CHO + C2H5 1.400E+13 0.000 0.000 O + C-2-C4H8 <=> I-C3H7 + CHO 6.030E+12 0.000 0.000 O + C-2-C4H8 <=> CH3CHO + C2H4 1.000E+12 0.000 0.000 CH3 + C-2-C4H8 <=> CH4 + C4H7 1.000E+11 0.000 34.300 P-C4H9 <=> C2H5 + C2H4 3.000E+13 0.000 120.600 P-C4H9 <=> H + 1-C4H8 1.260E+13 0.000 161.600 P-C4H9 <=> CH3 + C3H6 1.260E+12 0.000 113.100 P-C4H9 + O2 <=> HO2 + 1-C4H8 1.000E+12 0.000 8.400 P-C4H9 + CH3 <=> CH4 + 1-C4H8 1.408E+13 0.000 0.000 S-C4H9 <=> H + 1-C4H8 2.000E+13 0.000 169.200 S-C4H9 <=> H + 2-C4H8 5.000E+13 0.000 158.700 S-C4H9 <=> H + C-2-C4H8 5.000E+13 0.000 158.700 S-C4H9 <=> CH3 + C3H6 3.600E+14 0.000 139.000 S-C4H9 + O2 <=> HO2 + 1-C4H8 2.000E+12 0.000 18.800 S-C4H9 + O2 <=> HO2 + 2-C4H8 2.000E+13 0.000 17.800 S-C4H9 + O2 <=> HO2 + C-2-C4H8 2.000E+13 0.000 17.800 S-C4H9 + CH3 <=> CH4 + 2-C4H8 1.184E+12 0.000 0.000 C2H5 + C2H5 <=> C4H10 5.752E+12 0.000 0.000 C4H10 => N-C3H7 + CH3 1.000E+17 0.000 357.600 N-C3H7 + CH3 => C4H10 2.000E+13 0.000 0.000 C4H10 <=> P-C4H9 + H 9.516E+07 0.000 409.900 C4H10 <=> S-C4H9 + H 6.023E+07 0.000 397.400 H + C4H10 <=> P-C4H9 + H2 2.638E+14 0.000 39.200 H + C4H10 <=> S-C4H9 + H2 1.957E+14 0.000 33.200 O + C4H10 => P-C4H9 + OH 1.130E+14 0.000 32.900 P-C4H9 + OH => O + C4H10 1.480E+13 0.000 51.300 O + C4H10 => S-C4H9 + OH 5.620E+13 0.000 21.800 S-C4H9 + OH => O + C4H10 7.350E+12 0.000 40.200 OH + C4H10 <=> P-C4H9 + H2O 3.000E+12 0.000 6.843 OH + C4H10 <=> S-C4H9 + H2O 5.643E+12 0.000 3.559 HO2 + C4H10 => P-C4H9 + H2O2 1.140E+13 0.000 81.200 P-C4H9 + H2O2 => HO2 + C4H10 4.580E+12 0.000 41.100 HO2 + C4H10 => S-C4H9 + H2O2 6.800E+12 0.000 71.200 S-C4H9 + H2O2 => HO2 + C4H10 1.630E+12 0.000 31.000 O2 + C4H10 => P-C4H9 + HO2 2.500E+13 0.000 205.200 P-C4H9 + HO2 => O2 + C4H10 2.500E+12 0.000 -9.200 O2 + C4H10 => S-C4H9 + HO2 4.000E+13 0.000 199.300 S-C4H9 + HO2 => O2 + C4H10 4.070E+12 0.000 -15.200 CH3O + C4H10 => P-C4H9 + CH3OH 3.000E+11 0.000 29.300 P-C4H9 + CH3OH => CH3O + C4H10 1.220E+10 0.000 209.400 CH3O + C4H10 => S-C4H9 + CH3OH 6.000E+11 0.000 29.300 S-C4H9 + CH3OH => CH3O + C4H10 2.440E+10 0.000 209.400 CH3 + C4H10 <=> P-C4H9 + CH4 1.094E+12 0.000 56.900 CH3 + C4H10 <=> S-C4H9 + CH4 1.444E+12 0.000 39.900 C4H10 + C2H3 <=> P-C4H9 + C2H4 1.000E+12 0.000 75.200 C4H10 + C2H3 <=> S-C4H9 + C2H4 8.000E+11 0.000 70.200 C4H10 + C2H5 <=> P-C4H9 + C2H6 1.054E+13 0.000 53.500 C4H10 + C2H5 <=> S-C4H9 + C2H6 5.270E+12 0.000 48.500 C4H10 + C3H5 <=> P-C4H9 + C3H6 4.000E+11 0.000 78.500 C4H10 + C3H5 <=> S-C4H9 + C3H6 8.000E+11 0.000 70.200 H + CH <=> H2 + C 1.500E+14 0.000 0.000 O2 + C <=> O + CO 5.000E+13 0.000 0.000 I-C4H7 <=> CH3 + C3H4 1.000E+13 0.000 213.600 I-C4H8 <=> CH3 + C3H5 5.000E+18 -1.000 307.400 I-C4H8 <=> I-C4H7 + H 2.000E+15 0.000 365.800 I-C4H8 + H <=> I-C4H7 + H2 1.000E+13 0.000 15.900 I-C4H8 + H <=> CH3 + C3H6 1.722E+13 0.000 15.000 O + I-C4H8 <=> OH + I-C4H7 2.500E+05 2.600 -4.700 O + I-C4H8 <=> I-C3H7 + CHO 7.230E+05 2.300 -4.400 OH + I-C4H8 <=> I-C4H7 + H2O 9.600E+12 0.000 5.200 OH + I-C4H8 <=> I-C3H7 + CH2O 1.500E+12 0.000 0.000 I-C4H8 + CH3 <=> I-C4H7 + CH4 6.030E+11 0.000 37.230 I-C4H9 <=> CH3 + C3H6 2.141E+12 0.650 128.900 I-C4H9 <=> I-C4H8 + H 1.000E+14 0.000 151.880 O2 + I-C4H9 <=> I-C4H8 + HO2 2.410E+10 0.000 0.000 I-C4H9 + CH3 <=> I-C4H8 + CH4 6.040E+12 -0.320 0.000 I-C4H9 + C3H8 <=> N-C3H7 + I-C4H10 9.030E-01 3.650 38.240 I-C4H9 + C3H8 <=> I-C4H10 + I-C3H7 1.506E+00 3.460 31.179 T-C4H9 <=> I-C4H8 + H 8.300E+13 0.000 159.630 T-C4H9 <=> CH3 + C3H6 1.000E+16 0.000 193.000 T-C4H9 + O2 <=> I-C4H8 + HO2 4.820E+11 0.000 0.000 T-C4H9 + CH3 <=> I-C4H8 + CH4 1.258E+13 0.000 2.494 T-C4H9 + T-C4H9 <=> I-C4H8 + I-C4H10 7.226E+16 -1.730 0.000 I-C4H10 <=> I-C3H7 + CH3 4.500E+16 0.000 339.230 I-C4H10 <=> T-C4H9 + H 1.000E+15 0.000 390.700 I-C4H10 <=> I-C4H9 + H 1.000E+15 0.000 410.400 I-C4H10 + H <=> T-C4H9 + H2 6.020E+05 2.400 10.810 I-C4H10 + H <=> I-C4H9 + H2 1.810E+06 2.540 28.270 O + I-C4H10 <=> T-C4H9 + OH 1.560E+05 2.500 4.660 O + I-C4H10 <=> OH + I-C4H9 4.280E+05 2.500 15.250 OH + I-C4H10 <=> T-C4H9 + H2O 5.730E+10 0.510 0.270 OH + I-C4H10 <=> I-C4H9 + H2O 2.290E+08 1.530 3.240 I-C4H10 + HO2 <=> I-C4H9 + H2O2 3.010E+04 2.550 64.850 I-C4H10 + HO2 <=> T-C4H9 + H2O2 3.610E+03 2.550 44.070 I-C4H10 + CH3 <=> T-C4H9 + CH4 9.040E-01 3.460 19.240 I-C4H10 + CH3 <=> I-C4H9 + CH4 1.360E+00 3.650 29.900 O2 + I-C4H10 <=> I-C4H9 + HO2 4.040E+13 0.000 213.100 O2 + I-C4H10 <=> T-C4H9 + HO2 3.970E+13 0.000 184.080 I-C4H10 + CH3O2 <=> I-C4H9 + CH3O2H 3.010E+04 2.550 64.850 I-C4H10 + CH3O2 <=> T-C4H9 + CH3O2H 3.610E+03 2.550 44.070 I-C4H10 + C2H5 <=> I-C4H9 + C2H6 1.385E+00 3.650 38.247 I-C4H10 + C2H5 <=> T-C4H9 + C2H6 5.410E-01 3.460 24.943 CH3O + CH3 <=> CH4 + CH2O 2.409E+12 0.000 0.000 HO2 + CH3O <=> H2O2 + CH2O 3.011E+11 0.000 0.000 CH3O + C2H5 <=> CH2O + C2H6 2.409E+13 0.000 0.000 CH3O + C2H3 <=> CH2O + C2H4 2.409E+13 0.000 0.000 O2 + CH3CO <=> CH3CO3 2.650E+12 0.000 0.000 O + CH3CO <=> CO2 + CH3 4.818E+23 0.000 0.000 OH + CH3CO <=> H2O + CH2CO 1.210E+13 0.000 0.000 CH3CO + CH3 <=> CO + C2H6 3.300E+13 0.000 0.000 CH3CO + CH3 <=> CH4 + CH2CO 6.100E+12 0.000 0.000 CH3O2 + CH3CHO => CH3O2H + CH3CO 1.000E+12 0.000 42.000 CH3O2H + CH3CO => CH3O2 + CH3CHO 5.030E-01 3.420 30.400 CH3CHO + C2H5 <=> CH3CO + C2H6 1.258E+12 0.000 35.586 CH3CHO + C2H3 <=> CH3CO + C2H4 8.131E+10 0.000 15.382 HO2 + CH3CO3 <=> O2 + CH3CO3H 2.111E+11 0.000 -11.220 CH3CO3 + CH2O <=> CHO + CH3CO3H 7.198E+09 0.000 0.000 CH3CO3 + CH3 => CO2 + CH3O + CH3 3.610E+13 0.000 0.000 CH3CO3 + CH3CHO <=> CH3CO3H + CH3CO 2.999E+09 0.000 0.000 CH3CO3 + C2H5CHO => CH3CO3H + C2H5CO 1.000E+12 0.000 42.000 CH3CO3H + C2H5CO => CH3CO3 + C2H5CHO 1.270E+10 0.266 47.100 CH3CO3H <=> OH + CO2 + CH3 3.980E+15 0.000 167.000 CH3CO3H <=> OH + CH3CO2 3.017E+10 0.000 167.900 CH3CO2 +M <=> CO2 + CH3 +M 8.700E+15 0.000 60.192 HO2 + C2H4 <=> OXIRAN + OH 2.793E+12 0.000 74.740 HO2 + C2H4 <=> 2C2OOH1 1.000E+11 0.000 71.440 2C2OOH1 <=> CH2OH + CH2O 2.000E+13 0.000 114.950 C2H5O2 + C2H4 <=> C2H5OOH + C2H3 1.000E+12 0.000 104.500 OXIRAN + O <=> OH + C2H3O 1.909E+12 0.000 21.900 OXIRAN + CH2CHO <=> CH3CHO + C2H3O 1.000E+11 0.000 58.600 OXIRAN + H <=> H2 + C2H3O 8.010E+13 0.000 40.500 OXIRAN + H <=> OH + C2H4 9.516E+10 0.000 20.900 OXIRAN + H <=> H2O + C2H3 4.999E+09 0.000 20.900 OXIRAN + OH <=> H2O + C2H3O 4.625E+12 0.000 13.239 OXIRAN + CH3 <=> CH4 + C2H3O 1.072E+12 0.000 49.470 OXIRAN <=> CH3CHO 6.310E+13 0.000 247.710 OXIRAN <=> CO + CH4 1.210E+13 0.000 239.460 OXIRAN <=> CHO + CH3 3.630E+13 0.000 239.460 OXIRAN + O2 <=> HO2 + C2H3O 1.000E+14 0.000 217.140 H + C2H3O +M <=> OXIRAN +M 4.000E+15 0.000 0.000 C2H3O <=> CH2CHO 1.000E+14 0.000 58.520 C2H3O <=> CH3CO 8.500E+14 0.000 58.520 OH + C2H4 (+M) <=> CH2CH2OH (+M) 5.420E+18 0.000 0.000 LOW / 1.190E+21 -3.100 0.000 / TROE / 0.48 0. 0. 0. / CH2CH2OH <=> CH3CHOH 1.000E+11 0.000 112.860 CH2CH2OH <=> CH3 + CH2O 1.000E+09 0.000 72.000 CH2CH2OH + C2H5O <=> CH3CHO + C2H5OH 5.000E+13 0.000 0.000 CH3CHOH + C2H5O <=> CH3CHO + C2H5OH 5.000E+13 0.000 0.000 O2 + CH2CH2OH <=> OOC2OH 1.000E+12 0.000 0.000 OOC2OH <=> OH + CH2O + CH2O 1.000E+16 0.000 50.600 O2 + C2H5 <=> C2H5O2 2.002E+42 -10.300 25.442 C2H5O2 => 2C2OOH1 2.080E+12 0.000 138.000 2C2OOH1 => C2H5O2 8.500E+09 -0.099 69.500 2C2OOH1 <=> OXIRAN + OH 1.300E+10 0.000 65.500 O + C2H5OOH <=> OH + C2H5O2 2.000E+13 0.000 19.850 HO2 + C2H5O2 <=> O2 + C2H5OOH 9.697E+10 0.000 -10.476 CH3CHO + C2H5O2 => CH3CO + C2H5OOH 1.000E+12 0.000 42.000 CH2O + C2H5O2 => CHO + C2H5OOH 1.000E+12 0.000 42.000 C2H5O2 + C2H5CHO => C2H5OOH + C2H5CO 1.000E+12 0.000 42.000 CHO + C2H5OOH => CH2O + C2H5O2 2.170E+06 1.010 0.688 CH3CO + C2H5OOH => CH3CHO + C2H5O2 9.260E+05 1.220 17.300 C2H5OOH + C2H5CO => C2H5O2 + C2H5CHO 1.140E+09 0.267 22.300 CH3O2 + C2H5O2 <=> O2 + CH3O + C2H5O 1.211E+11 0.000 0.000 C2H5O2 + C2H5O2 => O2 + C2H5O + C2H5O 2.650E+10 0.000 0.000 O2 + C2H5O + C2H5O => C2H5O2 + C2H5O2 1.000E+06 0.000 0.000 C4H10 + C2H5O2 => P-C4H9 + C2H5OOH 1.680E+13 0.000 85.500 C4H10 + C2H5O2 => S-C4H9 + C2H5OOH 1.120E+13 0.000 74.000 P-C4H9 + C2H5OOH => C4H10 + C2H5O2 1.130E-12 6.760 -18.100 S-C4H9 + C2H5OOH => C4H10 + C2H5O2 4.440E-13 6.890 -15.200 C2H5OOH <=> OH + C2H5O 4.000E+15 0.000 179.600 C2H5CO => CH3 + CH2CO 3.700E+13 0.000 120.000 3C2H4CHO => CHO + C2H4 3.700E+13 0.000 120.000 CH3COCH2 => CH3 + CH2CO 3.700E+13 0.000 120.000 C2H5CO <=> CO + C2H5 5.890E+12 0.000 60.300 1-OC3O2 => CH3CO + CH2O 3.000E+14 0.000 212.550 3-OC3O1 => CH2O + CH2CHO 3.000E+14 0.000 212.550 2-OC3O1 => CHO + CH3CHO 3.000E+14 0.000 212.550 CH3CO + CH2O => 1-OC3O2 7.930E+05 1.480 196.650 CH2O + CH2CHO => 3-OC3O1 7.930E+05 1.480 196.650 CHO + CH3CHO => 2-OC3O1 7.930E+05 1.480 196.650 OXETAN => CH2O + C2H4 2.630E+15 0.000 259.410 CH2O + C2H4 => OXETAN 9.080E+28 -5.280 278.000 OXETAN + O2 <=> HO2 + 2C3H5OCY 4.000E+13 0.000 257.320 OXETAN + H <=> H2 + 2C3H5OCY 2.000E+13 0.000 34.730 OXETAN + O <=> OH + 2C3H5OCY 1.910E+12 0.000 21.970 OXETAN + OH <=> H2O + 2C3H5OCY 4.100E+06 2.000 -7.020 OXETAN + HO2 <=> H2O2 + 2C3H5OCY 2.900E+04 2.600 58.200 OXETAN + CH3 <=> CH4 + 2C3H5OCY 1.950E+11 0.000 35.230 2OC3HP1 => OH + 1-OC3O2 4.000E+15 0.000 125.520 1OC3HP3 => OH + 3-OC3O1 4.000E+15 0.000 125.520 1OC3HP2 => OH + 2-OC3O1 4.000E+15 0.000 125.520 OH + 1-OC3O2 => 2OC3HP1 3.240E+08 0.991 -58.580 OH + 3-OC3O1 => 1OC3HP3 3.240E+08 0.991 -58.580 OH + 2-OC3O1 => 1OC3HP2 3.240E+08 0.991 -58.580 C3H7CO <=> N-C3H7 + CO 3.160E+12 0.000 39.820 O2 + I-C3H7 <=> I-C3H7O2 8.500E+12 0.000 0.000 O2 + N-C3H7 <=> N-C3H7O2 3.300E+12 0.000 0.000 N-C3H7 + C2H3 <=> C3H8 + C2H2 1.211E+12 0.000 0.000 N-C3H7O <=> CH2O + C2H5 6.310E+13 0.000 81.560 I-C3H7O <=> CH3CHO + CH3 3.980E+14 0.000 72.000 O2 + N-C3H7O <=> HO2 + C2H5CHO 1.951E+11 0.000 8.281 O2 + I-C3H7O <=> HO2 + CH3COCH3 9.095E+09 0.000 1.630 I-C3H7O <=> H + CH3COCH3 2.000E+14 0.000 89.790 I-C3H7O2 => 1C3OOH2 4.160E+12 0.000 138.000 N-C3H7O2 => 3C3OOH1 2.600E+11 0.000 110.000 N-C3H7O2 => 2C3OOH1 1.390E+12 0.000 118.000 1C3OOH2 => I-C3H7O2 2.220E+10 -0.138 69.600 2C3OOH1 => N-C3H7O2 2.980E+09 0.045 63.800 3C3OOH1 => N-C3H7O2 1.000E+13 0.000 167.360 1C3OOH2 <=> OH + 2MOXI 1.300E+10 0.000 65.500 2C3OOH1 <=> OH + 2MOXI 1.300E+10 0.000 65.500 3C3OOH1 <=> OXETAN + OH 1.300E+10 0.000 62.900 1C3OOH2 <=> HO2 + C3H6 1.000E+09 0.000 31.400 2C3OOH1 <=> HO2 + C3H6 1.000E+09 0.000 31.400 N-C3H7O2 + C3H6 <=> N-C3H7O + 2MOXI 1.698E+07 0.000 0.000 I-C3H7O2 + C3H6 <=> I-C3H7O + 2MOXI 8.321E+11 0.000 67.700 2MOXI <=> CHO + C2H5 2.450E+13 0.000 244.190 2MOXI <=> CH3 + CH2CHO 2.450E+13 0.000 245.860 2MOXI <=> C2H5CHO 1.820E+14 0.000 244.190 I-C3H7O2 + HO2 => O2 + IC3H7OOH 4.640E+10 0.000 -10.800 I-C3H7O2 + CH2O => IC3H7OOH + CHO 1.000E+12 0.000 42.000 I-C3H7O2 + CH3CHO => IC3H7OOH + CH3CO 1.000E+12 0.000 42.000 I-C3H7O2 + C2H5CHO => IC3H7OOH + C2H5CO 1.000E+12 0.000 42.000 N-C3H7 + I-C3H7O2 <=> N-C3H7O + I-C3H7O 3.800E+12 0.000 -5.060 I-C3H7O2 + I-C3H7 <=> I-C3H7O + I-C3H7O 3.800E+12 0.000 -5.060 I-C3H7O2 + CH3 <=> I-C3H7O + CH3O 3.800E+12 0.000 -5.060 I-C3H7O2 + C3H6 <=> IC3H7OOH + C3H5 3.200E+11 0.000 62.280 I-C3H7O2 + CH4 <=> IC3H7OOH + CH3 1.140E+13 0.000 85.520 I-C3H7O2 + CH3OH <=> IC3H7OOH + CH2OH 6.300E+12 0.000 80.920 I-C3H7O2 + C2H4 <=> IC3H7OOH + C2H3 7.100E+11 0.000 104.500 N-C3H7O2 + HO2 => O2 + NC3H7OOH 4.640E+10 0.000 -10.800 N-C3H7O2 + CH2O => NC3H7OOH + CHO 1.000E+12 0.000 42.000 N-C3H7O2 + CH3CHO => NC3H7OOH + CH3CO 1.000E+12 0.000 42.000 N-C3H7O2 + C2H5CHO => NC3H7OOH + C2H5CO 1.000E+12 0.000 42.000 N-C3H7O2 + N-C3H7 <=> N-C3H7O + N-C3H7O 3.800E+12 0.000 -5.060 N-C3H7O2 + I-C3H7 <=> N-C3H7O + I-C3H7O 3.800E+12 0.000 -5.060 N-C3H7O2 + CH3 <=> N-C3H7O + CH3O 3.800E+12 0.000 -5.060 N-C3H7O2 + C3H6 <=> NC3H7OOH + C3H5 3.200E+11 0.000 62.280 N-C3H7O2 + CH4 <=> NC3H7OOH + CH3 1.140E+13 0.000 85.520 N-C3H7O2 + CH3OH <=> NC3H7OOH + CH2OH 6.300E+12 0.000 80.920 N-C3H7O2 + C2H4 => NC3H7OOH + C2H3 7.100E+11 0.000 104.500 O2 + IC3H7OOH => I-C3H7O2 + HO2 2.540E+10 -0.121 126.000 IC3H7OOH + CHO => I-C3H7O2 + CH2O 2.680E+06 0.982 0.785 IC3H7OOH + CH3CO => I-C3H7O2 + CH3CHO 1.150E+06 1.180 17.400 IC3H7OOH + C2H5CO => I-C3H7O2 + C2H5CHO 1.410E+09 0.235 22.400 O2 + NC3H7OOH => N-C3H7O2 + HO2 2.050E+10 -0.089 126.000 NC3H7OOH + CHO => N-C3H7O2 + CH2O 2.170E+06 1.010 0.688 NC3H7OOH + CH3CO => N-C3H7O2 + CH3CHO 9.260E+05 1.220 17.300 NC3H7OOH + C2H5CO => N-C3H7O2 + C2H5CHO 1.410E+09 0.267 22.300 O2 + 2C3OOH1 => 2OO3OOH1 1.000E+12 0.000 0.000 O2 + 3C3OOH1 => 3OO3OOH1 1.000E+12 0.000 0.000 O2 + 1C3OOH2 => 1OO3OOH2 1.000E+12 0.000 0.000 N-C3H7O2 <=> CH2O + C2H5O 1.000E+09 0.000 83.680 N-C3H7O2 <=> OH + C2H5CHO 1.000E+09 0.000 83.680 I-C3H7O2 <=> OH + CH3COCH3 1.000E+09 0.000 83.680 I-C3H7O2 <=> CH2O + C2H5O 1.000E+09 0.000 83.680 N-C3H7O2 + N-C3H7O2 => O2 + N-C3H7O + N-C3H7O 1.300E+11 0.000 0.000 N-C3H7O2 + I-C3H7O2 => O2 + N-C3H7O + I-C3H7O 1.000E+11 0.000 0.000 N-C3H7O2 + C2H5O2 => O2 + N-C3H7O + C2H5O 1.300E+11 0.000 0.000 N-C3H7O2 + CH3O2 => O2 + N-C3H7O + CH3O 1.650E+11 0.000 0.000 O2 + N-C3H7O + N-C3H7O => N-C3H7O2 + N-C3H7O2 3.810E+00 2.610 1.570 O2 + N-C3H7O + I-C3H7O => N-C3H7O2 + I-C3H7O2 1.000E+00 0.000 0.000 O2 + N-C3H7O + C2H5O => N-C3H7O2 + C2H5O2 1.000E+00 0.000 0.000 O2 + N-C3H7O + CH3O => N-C3H7O2 + CH3O2 1.000E+00 0.000 0.000 I-C3H7O2 + I-C3H7O2 => O2 + I-C3H7O + I-C3H7O 7.000E+10 0.000 0.000 I-C3H7O2 + C2H5O2 => O2 + I-C3H7O + C2H5O 1.000E+11 0.000 0.000 I-C3H7O2 + CH3O2 => O2 + I-C3H7O + CH3O 1.350E+11 0.000 0.000 O2 + I-C3H7O + I-C3H7O => I-C3H7O2 + I-C3H7O2 2.000E+03 1.660 33.350 O2 + I-C3H7O + C2H5O => I-C3H7O2 + C2H5O2 1.000E+04 0.000 0.000 O2 + I-C3H7O + CH3O => I-C3H7O2 + CH3O2 1.000E+04 0.000 0.000 I-C3H7O2 + C3H8 => N-C3H7 + IC3H7OOH 6.000E+12 0.000 58.600 I-C3H7O2 + C3H8 => IC3H7OOH + I-C3H7 2.000E+12 0.000 46.101 N-C3H7O2 + C3H8 => NC3H7OOH + N-C3H7 6.000E+12 0.000 58.600 N-C3H7O2 + C3H8 => NC3H7OOH + I-C3H7 2.000E+12 0.000 46.101 N-C3H7 + IC3H7OOH => I-C3H7O2 + C3H8 6.000E+12 0.000 58.600 IC3H7OOH + I-C3H7 => I-C3H7O2 + C3H8 2.000E+12 0.000 46.101 NC3H7OOH + N-C3H7 => N-C3H7O2 + C3H8 6.000E+12 0.000 58.600 NC3H7OOH + I-C3H7 => N-C3H7O2 + C3H8 2.000E+12 0.000 46.101 NC3H7OOH <=> OH + N-C3H7O 1.100E+16 0.000 182.000 IC3H7OOH <=> OH + I-C3H7O 8.300E+14 0.000 179.910 1OO3OOH2 <=> 1-2C3HP 1.000E+11 0.000 56.430 3OO3OOH1 <=> 1-3C3HP 2.000E+11 0.000 46.398 2OO3OOH1 <=> 1-2C3HP 2.000E+11 0.000 71.060 1-2C3HP => OH + 2OC3HP1 1.000E+09 0.000 31.400 1-3C3HP => OH + 1OC3HP3 1.000E+09 0.000 31.400 1-2C3HP => OH + 1OC3HP2 1.000E+09 0.000 31.400 2C3H5OCY <=> CHO + C2H4 8.000E+10 0.000 146.440 CH3 + 2C3H5OCY <=> CH3CHO + C2H4 1.000E+13 0.000 0.000 CH3 + 2C3H5OCY <=> CH2O + C3H6 2.000E+13 0.000 0.000 CH3COCH3 <=> CH4 + CH2CO 2.610E+11 0.000 191.000 CH3COCH3 <=> CO + C2H6 3.500E+14 0.000 174.000 CH3COCH3 <=> CH3CO + CH3 2.700E+16 0.000 342.000 HO2 + C2H5CHO <=> H2O2 + C2H5CO 1.520E+09 0.000 0.000 OH + C2H5CHO <=> H2O + C2H5CO 1.210E+13 0.000 0.000 CH3O2 + C2H5CHO <=> CH3O2H + C2H5CO 1.000E+12 0.000 42.000 CH3 + C2H5CHO <=> CH4 + C2H5CO 2.200E+11 0.000 48.600 H + C2H5CHO <=> H2 + C2H5CO 9.380E+06 2.000 32.200 O + C2H5CHO <=> OH + C2H5CO 5.680E+12 0.000 6.437 C2H5CHO + C2H5 <=> C2H6 + C2H5CO 5.000E+10 0.000 26.292 C3H7CO <=> CH2CO + C2H5 3.700E+13 0.000 120.000 4-OC4O2 => CH3COCH2 + CH2O 2.000E+13 0.000 62.800 1-OC4O2 => CH2O + C2H5CO 2.000E+13 0.000 62.800 3-OC4O2 => CH3CO + CH3CHO 2.000E+13 0.000 62.800 4-OC4O1 => CH2O + 3C2H4CHO 2.000E+13 0.000 62.800 3-OC4O1 => CH3CHO + CH2CHO 2.000E+13 0.000 62.800 2-OC4O1 => CHO + C2H5CHO 2.000E+13 0.000 62.800 CH3COCH2 + CH2O => 4-OC4O2 2.000E+11 0.000 0.000 CH2O + C2H5CO => 1-OC4O2 2.000E+11 0.000 0.000 CH3CO + CH3CHO => 3-OC4O2 2.000E+11 0.000 0.000 CH2O + 3C2H4CHO => 4-OC4O1 2.000E+11 0.000 0.000 CH3CHO + CH2CHO => 3-OC4O1 2.000E+11 0.000 0.000 CHO + C2H5CHO => 2-OC4O1 2.000E+11 0.000 0.000 2-3MOXI => CH2O + C3H6 3.390E+14 0.000 249.430 2EOXI => CH2O + C3H6 3.390E+14 0.000 249.430 OH + 2EOXI => H2O + 2EOXIYL 1.150E+12 0.000 0.000 H + 2EOXI => H2 + CH2CO + C2H5 2.700E+07 2.000 1.196 HO2 + 2EOXI => H2O2 + CH2CO + C2H5 1.200E+12 0.000 3.708 C2H5 + 2EOXI => CH2CO + C2H6 + C2H5 6.000E+11 0.000 2.632 OH + 2EOXI => H2O + CH2CO + C2H5 7.800E+06 2.000 -0.183 2EOXIYL => CH2CHO + C2H4 2.000E+13 0.000 28.699 2MOXE => CH2O + C3H6 3.390E+14 0.000 249.430 THF + O => THFYL + OH 7.829E+13 0.000 15.800 THF + OH => THFYL + H2O 9.040E+12 0.000 0.000 THF => CH2O + C3H6 8.240E+15 0.000 347.270 THF => OXIRAN + C2H4 3.300E+16 0.000 347.270 THF + H => THFYL + H2 2.700E+07 2.000 5.000 THFYL => CH2CHO + C2H4 2.000E+13 0.000 164.260 2OC4HP4 <=> OH + 4-OC4O2 8.400E+14 0.000 180.100 2OC4HP1 <=> OH + 1-OC4O2 8.400E+14 0.000 180.100 2OC4HP3 <=> OH + 3-OC4O2 8.400E+14 0.000 180.100 1OC4HP4 <=> OH + 4-OC4O1 8.400E+14 0.000 180.100 1OC4HP3 <=> OH + 3-OC4O1 8.400E+14 0.000 180.100 1OC4HP2 <=> OH + 2-OC4O1 8.400E+14 0.000 180.100 S-C4H9 + O2 <=> S-C4H9O2 1.000E+13 0.000 0.000 P-C4H9 + O2 <=> P-C4H9O2 4.500E+12 0.000 0.000 S-C4H9 + O2 <=> OH + 2-3MOXI 1.042E+10 0.000 0.000 S-C4H9 + O2 <=> THF + OH 2.601E+10 0.000 0.000 S-C4H9 + O2 <=> OH + 2EOXI 1.198E+09 0.000 0.000 S-C4H9O => CH3CHO + C2H5 1.760E+14 0.000 61.100 S-C4H9O <=> CH3 + C2H5CHO 7.940E+14 0.000 79.480 P-C4H9O => N-C3H7 + CH2O 3.980E+13 0.000 79.900 CH3CHO + C2H5 => S-C4H9O 4.580E+32 -6.790 87.700 N-C3H7 + CH2O => P-C4H9O 2.070E+27 -4.810 73.200 S-C4H9O2 => 3C4OOH2 1.390E+12 0.000 118.000 S-C4H9O2 => 1C4OOH2 2.080E+12 0.000 138.000 S-C4H9O2 => 4C4OOH2 2.600E+11 0.000 110.000 P-C4H9O2 => 2C4OOH1 1.390E+12 0.000 118.000 P-C4H9O2 => 3C4OOH1 1.730E+11 0.000 92.000 P-C4H9O2 => 4C4OOH1 3.260E+10 0.000 91.000 3C4OOH2 => S-C4H9O2 3.810E+09 0.009 0.000 1C4OOH2 => S-C4H9O2 1.060E+10 -0.131 69.600 4C4OOH2 => S-C4H9O2 1.330E+09 -0.131 41.600 2C4OOH1 => P-C4H9O2 2.990E+09 0.045 63.900 3C4OOH1 => P-C4H9O2 3.740E+08 0.045 37.900 4C4OOH1 => P-C4H9O2 1.300E+08 -0.095 22.500 O2 + 4C4OOH2 <=> 4OO4OOH2 4.500E+12 0.000 0.000 O2 + 1C4OOH2 <=> 1OO4OOH2 4.500E+12 0.000 0.000 O2 + 3C4OOH2 <=> 3OO4OOH2 1.000E+13 0.000 0.000 O2 + 4C4OOH1 <=> 4OO4OOH1 1.000E+13 0.000 0.000 O2 + 3C4OOH1 <=> 3OO4OOH1 1.000E+13 0.000 0.000 O2 + 2C4OOH1 <=> 2OO4OOH1 1.000E+13 0.000 0.000 3C4OOH2 => OH + 2-3MOXI 1.300E+10 0.000 65.500 1C4OOH2 => OH + 2EOXI 1.300E+10 0.000 65.500 4C4OOH2 => OH + 2MOXE 1.300E+10 0.000 62.900 2C4OOH1 => OH + 2EOXI 1.300E+10 0.000 65.500 3C4OOH1 => OH + 2MOXE 1.300E+10 0.000 62.900 4C4OOH1 => THF + OH 1.300E+10 0.000 52.200 1C4OOH2 => HO2 + 1-C4H8 1.000E+09 0.000 31.400 3C4OOH2 => HO2 + 2-C4H8 1.000E+09 0.000 31.400 2C4OOH1 => HO2 + 1-C4H8 1.000E+09 0.000 31.400 S-C4H9O2 + H2O2 <=> S-C4OOH + HO2 4.640E+10 0.000 -10.800 S-C4H9O2 + CH2O <=> S-C4OOH + CHO 1.000E+12 0.000 42.000 S-C4H9O2 + CH3CHO <=> S-C4OOH + CH3CO 1.000E+12 0.000 42.000 S-C4H9O2 + C2H5CHO <=> S-C4OOH + C2H5CO 1.000E+12 0.000 42.000 S-C4H9O2 + N-C3H7 <=> S-C4H9O + N-C3H7O 3.800E+12 0.000 -5.060 S-C4H9O2 + I-C3H7 <=> S-C4H9O + I-C3H7O 3.800E+12 0.000 -5.060 S-C4H9O2 + CH3 <=> S-C4H9O + CH3O 3.800E+12 0.000 -5.060 S-C4H9O2 + C3H6 <=> S-C4OOH + C3H5 3.200E+11 0.000 62.280 S-C4H9O2 + CH4 <=> S-C4OOH + CH3 1.140E+13 0.000 85.520 S-C4H9O2 + CH3OH <=> S-C4OOH + CH2OH 6.300E+12 0.000 80.920 P-C4H9O2 + H2O2 <=> P-C4OOH + HO2 4.640E+10 0.000 -10.800 P-C4H9O2 + CH2O <=> P-C4OOH + CHO 1.000E+12 0.000 42.000 P-C4H9O2 + CH3CHO <=> P-C4OOH + CH3CO 1.000E+12 0.000 42.000 P-C4H9O2 + C2H5CHO <=> P-C4OOH + C2H5CO 1.000E+12 0.000 42.000 P-C4H9O2 + N-C3H7 <=> P-C4H9O + N-C3H7O 3.800E+12 0.000 -5.060 P-C4H9O2 + I-C3H7 <=> P-C4H9O + I-C3H7O 3.800E+12 0.000 -5.060 P-C4H9O2 + CH3 <=> P-C4H9O + CH3O 3.800E+12 0.000 -5.060 P-C4H9O2 + C3H6 <=> P-C4OOH + C3H5 3.200E+11 0.000 62.280 P-C4H9O2 + CH4 <=> P-C4OOH + CH3 1.140E+13 0.000 85.520 P-C4H9O2 + CH3OH <=> P-C4OOH + CH2OH 6.300E+12 0.000 80.920 S-C4H9O2 + C4H10 => S-C4OOH + P-C4H9 1.680E+13 0.000 85.500 S-C4H9O2 + C4H10 => S-C4OOH + S-C4H9 1.120E+13 0.000 74.000 P-C4H9O2 + C4H10 => P-C4OOH + P-C4H9 1.680E+13 0.000 85.500 P-C4H9O2 + C4H10 => S-C4H9 + P-C4OOH 1.120E+13 0.000 74.000 S-C4OOH + P-C4H9 => S-C4H9O2 + C4H10 1.330E-12 6.740 -18.000 S-C4OOH + S-C4H9 => S-C4H9O2 + C4H10 5.260E-13 6.870 -15.100 P-C4OOH + P-C4H9 => P-C4H9O2 + C4H10 1.130E-12 6.760 -18.100 S-C4H9 + P-C4OOH => P-C4H9O2 + C4H10 4.450E-13 6.890 -15.200 4OO4OOH2 <=> 2-4C4HP 1.000E+11 0.000 33.900 1OO4OOH2 <=> 2-1C4HP 1.000E+11 0.000 56.430 3OO4OOH2 <=> 2-3C4HP 1.000E+11 0.000 56.430 4OO4OOH1 <=> 1-4C4HP 2.000E+11 0.000 50.160 3OO4OOH1 <=> 1-3C4HP 2.000E+11 0.000 46.398 2OO4OOH1 <=> 1-2C4HP 2.000E+11 0.000 71.060 2-4C4HP <=> OH + 2OC4HP4 1.000E+09 0.000 31.400 2-1C4HP <=> OH + 2OC4HP1 1.000E+09 0.000 31.400 2-3C4HP <=> OH + 2OC4HP3 1.000E+09 0.000 31.400 1-4C4HP <=> OH + 1OC4HP4 1.000E+09 0.000 31.400 1-3C4HP <=> OH + 1OC4HP3 1.000E+09 0.000 31.400 1-2C4HP <=> OH + 1OC4HP2 1.000E+09 0.000 31.400 I-C3H7O2 + C4H10 => P-C4H9 + IC3H7OOH 1.680E+13 0.000 85.500 I-C3H7O2 + C4H10 => S-C4H9 + IC3H7OOH 1.120E+13 0.000 74.000 N-C3H7O2 + C4H10 => P-C4H9 + NC3H7OOH 1.680E+13 0.000 85.500 N-C3H7O2 + C4H10 => S-C4H9 + NC3H7OOH 1.120E+13 0.000 74.000 P-C4H9 + IC3H7OOH => I-C3H7O2 + C4H10 1.400E-12 6.730 -18.000 S-C4H9 + IC3H7OOH => I-C3H7O2 + C4H10 5.540E-13 6.860 -15.100 P-C4H9 + NC3H7OOH => N-C3H7O2 + C4H10 1.130E-12 6.760 -18.100 S-C4H9 + NC3H7OOH => N-C3H7O2 + C4H10 4.440E-13 6.890 -15.200 S-C4OOH => S-C4H9O + OH 7.000E+15 0.000 174.000 P-C4OOH => P-C4H9O + OH 1.100E+16 0.000 182.000 S-C4H9O + OH => S-C4OOH 1.160E+10 1.370 -15.300 P-C4H9O + OH => P-C4OOH 6.790E+18 -1.410 7.410 END