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Accessibility information
Author(s):   Baulch, D.L.; Cobos, C.J.; Cox, R.A.; Frank, P.; Hayman, G.; Just, Th.; Kerr, J.A.; Murrells, T.; Pilling, M.J.; Troe, J.; Walker, R.W.; Warnatz, J.
Title:   Evaluated kinetic data for combusion modelling. Supplement I
Journal:   J. Phys. Chem. Ref. Data
Volume:   23
Page(s):   847 - 1033
Year:   1994
Reference type:   Journal article
Squib:   1994BAU/COB847-1033

Associated entries:

Search Results


Rate expression:  k(T) = A (T/298 K)n e-Ea/RT
Rate expression units:
First order:  s-1
Second order:  cm3/molecule s
Third order:  cm6/molecule2 s
R = 8.314472 J / mole K
Energy Units J   Molecular Units Molecule
Pressure Units bar   Temperature Units K
Base Volume Unit cm   Reference Temperature 298.0
Evaluation Temperature 298.0

Use the Plot checkboxes to select data for plotting. Plot selected data using the "Create Plot" button. Click the squib to see extra information about a particular rate constant. Additional help is available.

| |
Plot   Squib   Reaction   Temp [K]   A   n   Ea [J/mole]   k(298.00 K)   Order
  1994BAU/COB847-1033   CH2OCO + H2  2000 - 3000   2.50              2
  Reference reaction:  CH2OHCO + 2
  1994BAU/COB847-1033   CH2OHCO +   1700 - 3200   0.05   -5.54   4.05E05      2
  1994BAU/COB847-1033   CH2O + ·CH3CH4 + HCO  300 - 2000   1.60E-16   6.10   8231      2
  1994BAU/COB847-1033   CH2O + H2 + HCO  300 - 1700   2.14E-12   1.62   9063      2
  1994BAU/COB847-1033   CN + CH4HCN + ·CH3  290 - 1500   5.11E-13   2.64   -1247   8.46E-13  2
  1994BAU/COB847-1033   CN + H2HCN +   200 - 3500   4.04E-13   2.87   6818   2.58E-14  2
  1994BAU/COB847-1033   CN + O2 + NCO  290 - 4500   1.20E-11       -1746   2.43E-11  2
  1994BAU/COB847-1033   CH3OH·CH3 + ·OH  1000 - 2000   1.70E16       3.80E05      1
  1994BAU/COB847-1033   CH3OH·CH3 + ·OH  1000 - 2000   1.10E-07       2.75E05      2
  1994BAU/COB847-1033   Benzene + → Adduct  298 - 1400   3.70E-11       1.90E04   1.76E-14  2
  1994BAU/COB847-1033   Benzene + → Products  300 - 2000   1.49E-13   3.80   3933      2
  1994BAU/COB847-1033   CH4·CH3 +   1000 - 3000   2.40E16       4.39E05      1
  1994BAU/COB847-1033   CH4·CH3 +   1000 - 1700   7.51E-07       3.80E05      2
  1994BAU/COB847-1033   CH4·CH3 +   1000 - 2000   1.40E-06       3.80E05      2
  1994BAU/COB847-1033   CH4·CH3 +   1700 - 5000   4019   -8.20   4.92E05      2
  1994BAU/COB847-1033   CH4 + ·C2H → Products  298   3.01E-12           3.01E-12  2
  1994BAU/COB847-1033   C2H6·CH3 + ·CH3  300 - 2000   1.54E18   -1.24   3.80E05      1
  1994BAU/COB847-1033   C2H6·CH3 + ·CH3  300 - 2000   4.52E04   -8.24   3.92E05      2
  1994BAU/COB847-1033   C2H6·CH3 + ·CH3  300 - 2000   7.49E-20   -8.24   3.92E05      2
  1994BAU/COB847-1033   C2H6·CH3 + ·CH3  800 - 1000   0.05       3.48E05      2
  1994BAU/COB847-1033   C2H4C2H2 + H2  1500 - 3200   5.80E-08       2.99E05      2
  1994BAU/COB847-1033   C2H4C2H3 +   1500 - 3200   4.30E-07       4.04E05      2
  1994BAU/COB847-1033   C2H4 + ·C2H5  200 - 1100   9.68E-12   1.28   5404   1.09E-12  2
  1994BAU/COB847-1033   C2H4 + ·C2H5  300 - 800   7.69E-30       3159      3
  1994BAU/COB847-1033   C2H4 + ·C2H5  300 - 800   1.30E-29       3159      3
  1994BAU/COB847-1033   C2H4 + → Products  300 - 2000   1.01E-12   1.88   765      2
  1994BAU/COB847-1033   C2H4 + H2C=C=O + H2  300 - 2000   0.05              2
  Reference reaction:  C2H4 + → Products 2
  1994BAU/COB847-1033   C2H4 + ·CH3 + HCO  300 - 2000   0.60              2
  Reference reaction:  C2H4 + → Products 2
  1994BAU/COB847-1033   C2H4 + *CH2C(O)H +   300 - 2000   0.35              2
  Reference reaction:  C2H4 + → Products 2
  1994BAU/COB847-1033   C2H2 + ·C2H1,3-Butadiyne +   300 - 2700   1.50E-10              2
  1994BAU/COB847-1033   C2H2 + ·OH → Products  1000 - 2000   1.00E-10       5.40E04      2
  1994BAU/COB847-1033   C2H2 + → Products  195 - 2500   1.89E-12   2.10   6535   1.35E-13  2
  1994BAU/COB847-1033   C2H2 + + HCCO  300 - 2500   0.70              2
  Reference reaction:  C2H2 + → Products 2
  1994BAU/COB847-1033   C3H8·C2H5 + ·CH3  700 - 2000   1.10E17       3.53E05      1
  1994BAU/COB847-1033   C3H8·C2H5 + ·CH3  700 - 2000   1.30E-05       2.72E05      2
  1994BAU/COB847-1033   CH3CHO + → Products  298 - 1500   9.71E-12       7566   4.58E-13  2
  1994BAU/COB847-1033   Ethylbenzene + HO21-phenylethyl + H2O2  600 - 1000   4.40E-13       4.72E04      2
  1994BAU/COB847-1033   Ethylbenzene + HO24-Methylbenzyl + H2O2  600 - 1000   9.00E-12       1.21E05      2
  1994BAU/COB847-1033   Ethylbenzene + HO2H2O2 + 2-phenylethyl  600 - 1000   5.30E-12       8.11E04      2
  1994BAU/COB847-1033   Ethylbenzene + → Products  298 - 600   2.81E-11       1.53E04   5.84E-14  2
  1994BAU/COB847-1033   Benzaldehyde + ·OH → Products  298 - 1500   1.30E-11           1.30E-11  2
  1994BAU/COB847-1033   Benzaldehyde + → benzoyl + ·OH  298 - 1500   1.00E-11       7566   4.72E-13  2
  1994BAU/COB847-1033   1,4-Dimethylbenzene + → Products  298 - 600   5.10E-11       1.36E04   2.15E-13  2
  1994BAU/COB847-1033   TolueneBenzyl +   920 - 2200   3.10E15       3.73E05      1
  1994BAU/COB847-1033   Toluene + HO2Benzyl + H2O2  600 - 1000   6.59E-13       5.89E04      2
  1994BAU/COB847-1033   Toluene + HO2 → 4-methylphenyl + H2O2  600 - 1000   9.00E-12       1.21E05      2
  1994BAU/COB847-1033   Toluene + ·OHBenzyl + H2O  400 - 1200   2.56E-12   1.00   3658      2
  1994BAU/COB847-1033   Toluene + O2Benzyl + HO2  700 - 1200   3.01E-12       1.66E05      2
  1994BAU/COB847-1033   Toluene + Benzene + ·CH3  770 - 1100   9.60E-11       3.38E04      2
  1994BAU/COB847-1033   Toluene + H2 + Benzyl  600 - 2500   2.14E-13   3.44   1.31E04      2
  1994BAU/COB847-1033   Toluene + → Cyclohexadienyl, 6-methyl-  298   1.20E-13           1.20E-13  2
  1994BAU/COB847-1033   Toluene + → Products  298 - 2800   5.23E-12   1.21   1.05E04   7.63E-14  2
  1994BAU/COB847-1033   Phenol + → Products  290 - 600   2.09E-11       1.21E04   1.56E-13  2
  1994BAU/COB847-1033   CH3CH=CH2 + O2·CH2CH=CH2 + HO2  600 - 1000   3.20E-12       1.64E05      2
  1994BAU/COB847-1033   CO + ·CH3CH3CO  300 - 500   8.40E-13       2.88E04      2
  1994BAU/COB847-1033   CO + ·CH3CH3CO  300 - 350   4.19E-36              3
  1994BAU/COB847-1033   CO + ·CH3CH3CO  400 - 500   3.01E-34       1.59E04      3
  1994BAU/COB847-1033   CO + HCO  300 - 2500   5.29E-34       3076      3
  1994BAU/COB847-1033   H2 + ·C2HC2H2 +   300 - 2500   1.79E-11       9063      2
  1994BAU/COB847-1033   CH3O2· + CH3O2· → Products  298 - 700   9.10E-14       -3492   3.72E-13  2
  1994BAU/COB847-1033   CH3O2· + CH3O2·CH3 + CH3 + O2  298 - 700   25.00       9728   0.49  2
  Reference reaction:  CH3O2· + CH3O2·CH2O + CH3OH + O2 2
  1994BAU/COB847-1033   CH3O2· + HO2 → Products  298 - 700   4.10E-13       -6568   5.81E-12  2
  1994BAU/COB847-1033   CH3O2· + HO2CH3OOH + O2  298 - 700   1.00           1.00  2
  Reference reaction:  CH3O2· + HO2 → Products 2
  1994BAU/COB847-1033   CH3CH2O +   300 - 1700   9.00E-11       5.65E04      2
  1994BAU/COB847-1033   CH3 + O2CH2O + HO2  300 - 1000   3.60E-14       7317      2
  1994BAU/COB847-1033   Benzyl + Toluene  300 - 2000   4.30E-10              2
  1994BAU/COB847-1033   ·CH3 + ·CH3C2H6  300 - 2000   5.99E-11              2
  1994BAU/COB847-1033   ·CH3 + ·CH3C2H6  300 - 2000   1.68E-24   -7.00   1.16E04      3
  1994BAU/COB847-1033   ·CH3 + ·OHCH3OH  300 - 2000   1.00E-10              2
  1994BAU/COB847-1033   ·CH3 + ·OHCH3OH  1000 - 2000   2.25E-24   -8.20          3
  1994BAU/COB847-1033   ·CH3 + ·OHCH3OH  300   2.30E-27              3
  1994BAU/COB847-1033   ·CH3 + ·OHH2O + ·CH2  300 - 1000   1.20E-10       1.16E04      2
  1994BAU/COB847-1033   ·CH3 + CH4  300 - 1000   3.50E-10              2
  1994BAU/COB847-1033   ·CH3 + CH4  300 - 1000   3.01E-28   -1.80          3
  1994BAU/COB847-1033   ·CH3 + CH4  300 - 1000   6.01E-29   -1.80          3
  1994BAU/COB847-1033   ·CH3 + CH4  300 - 1000   6.20E-29   -1.80          3
  1994BAU/COB847-1033   ·C2H5 + ·CH3C3H8  300 - 2000   5.60E-11              2
  1994BAU/COB847-1033   HCOCO +   600 - 2500   2.61E-10       6.59E04      2
  1994BAU/COB847-1033   C2H3 + O2 → Products  300 - 2000   9.00E-12              2
  1994BAU/COB847-1033   CH3OOHCH3 + ·OH  500 - 800   6.00E14       1.77E05      1
  1994BAU/COB847-1033   CH3OOH + → Products  300 - 1000   3.30E-11       1.99E04      2
  1994BAU/COB847-1033   CH3CH2OOHCH3CH2 + ·OH  400 - 800   4.00E15       1.80E05      1
  1994BAU/COB847-1033   CH3CH2OOH + → Other Products + ·OH  300 - 1000   3.30E-11       1.99E04      2
  1994BAU/COB847-1033   CH3COCO + ·CH3  300 - 500   2.80E13       7.18E04      1
  1994BAU/COB847-1033   CH3COCO + ·CH3  353   7.01E-18              2
  1994BAU/COB847-1033   CH3COCO + ·CH3  400 - 500   1.00E-08       5.89E04      2
  1994BAU/COB847-1033   CH3CO + → Products  298 - 1500   3.20E-10           3.20E-10  2
  1994BAU/COB847-1033   CH3CO + CO2 + ·CH3  298   0.80           0.80  2
  Reference reaction:  CH3CO + → Products 2
  1994BAU/COB847-1033   CH3CO + H2C=C=O + ·OH  298   0.20           0.20  2
  Reference reaction:  CH3CO + → Products 2
  1994BAU/COB847-1033   HO2 + HO2H2O2 + O2  850 - 1250   7.01E-10       5.01E04      2
  1994BAU/COB847-1033   HO2 + ·OHH2O + O2  300 - 2000   4.80E-11       -2079      2
  1994BAU/COB847-1033   ·CH + N2 → Products  2000 - 4000   2.61E-12       7.51E04      2
  1994BAU/COB847-1033   ·CH + NO → Products  300 - 4000   2.01E-10              2
  1994BAU/COB847-1033   ·OH + NNO +   300 - 2500   4.70E-11              2
  1994BAU/COB847-1033   C + N2CN + N  2000 - 5000   8.70E-11       1.88E05      2
  1994BAU/COB847-1033   C + NO → Products  1500 - 4050   8.00E-11              2
  1994BAU/COB847-1033   C + NO → Products  300   2.51E-11              2
  1994BAU/COB847-1033   C + NOCN +   2400 - 4050   0.60              2
  Reference reaction:  C + NO → Products 2
  1994BAU/COB847-1033   NH3 → Products  2000 - 3000   8.30E15       4.59E05      1
  1994BAU/COB847-1033   NH3 → Products  2000 - 3000   7.41E-09       3.46E05      2
  1994BAU/COB847-1033   N2 + NO + N  1400 - 4000   3.01E-10       3.18E05      2
  1994BAU/COB847-1033   O2 + HO2  300 - 2000   4.08E-32   -0.80          3
  1994BAU/COB847-1033   O2 + HO2  300 - 2000   6.09E-32   -0.80          3
  1994BAU/COB847-1033   O2 + HO2  300 - 2000   1.78E-32   -0.80          3
  1994BAU/COB847-1033   O2 + ·OH +   300 - 5000   1.62E-10       6.21E04      2
  1994BAU/COB847-1033   O2 + NH → Products  270 - 550   1.30E-13       6402   9.81E-15  2
  1994BAU/COB847-1033   O2 + NHHNO +   2200 - 3500   6.51E-11       7.48E04      2
  1994BAU/COB847-1033   O2 + NNO +   298 - 5000   4.47E-12   1.00   2.72E04   7.66E-17  2
  1994BAU/COB847-1033   O2 + ·CH2 → Products  300 - 1000   4.10E-11       6236      2
  1994BAU/COB847-1033   NO + ·OH + N  1500 - 4500   3.60E-10       2.07E05      2
  1994BAU/COB847-1033   NO + NH → Products  2220 - 3350   2.81E-10       5.32E04      2
  1994BAU/COB847-1033   NO + NH → Products  270 - 380   5.00E-11           5.00E-11  2
  1994BAU/COB847-1033   NO + O2 + N  1000 - 5000   7.14E-13   1.13   1.60E05      2
  1994BAU/COB847-1033   NO + NN2 +   1400 - 4000   7.11E-11       6568      2
  1994BAU/COB847-1033   NO + NCO → Products  290 - 3000   1.21E-10   -1.73   3159   3.37E-11  2
  1994BAU/COB847-1033   NH + → Products  1000 - 3380   1.50E-10              2
  1994BAU/COB847-1033   ·C2H5C2H4 +   700 - 1100   8.20E13       1.67E05      1
  1994BAU/COB847-1033   ·C2H5C2H4 +   700 - 900   1.69E-06       1.40E05      2

Search returned 118 records.