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 Author(s):   Kislov, V.V.; Mebel, A.M.
Title:   Ab initio G3-type/statistical theory study of the formation of indene in combustion flames. I. Pathways involving benzene and phenyl radical
Journal:   J. Phys. Chem. A
Volume:   111
Page(s):   3922 - 3931
Year:   2007
Reference type:   Journal article
Squib:   2007KIS/MEB3922-3931

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
    2007KIS/MEB3922-3931   Benzene + ·CH3 → CH4 + Phenyl  300 - 3000                  2
    2007KIS/MEB3922-3931   CH4 + Phenyl → Benzene + ·CH3  300 - 3000                  2
    2007KIS/MEB3922-3931   Toluene + H· → H2 + Benzyl  300 - 3000                  2
    2007KIS/MEB3922-3931   H2 + Benzyl → Toluene + H·  300 - 3000                  2
    2007KIS/MEB3922-3931   Benzene + ·CH3 → 6-methyl-cyclohexadienyl  300 - 3000                  2
    2007KIS/MEB3922-3931   6-methyl-cyclohexadienyl → Benzene + ·CH3  300 - 3000                  1
    2007KIS/MEB3922-3931   6-methyl-cyclohexadienyl → Toluene + H·  300 - 3000                  1
    2007KIS/MEB3922-3931   Toluene + H· → 6-methyl-cyclohexadienyl  300 - 3000                  2
    2007KIS/MEB3922-3931   C2H2 + Benzyl → Indene + H·  300 - 3000                  2
    2007KIS/MEB3922-3931   Indene + H· → C2H2 + Benzyl  300 - 3000                  2
    2007KIS/MEB3922-3931   Indene + H· → Benzene + ·CH2C≡CH  300 - 3000                  2
    2007KIS/MEB3922-3931   Benzene + ·CH2C≡CH → Indene + H·  300 - 3000                  2
    2007KIS/MEB3922-3931   3-Phenyl-1-propyne + H· → 2-propargylphenyl + H2  300 - 3000                  2
    2007KIS/MEB3922-3931   2-propargylphenyl + H2 → 3-Phenyl-1-propyne + H·  300 - 3000                  2
    2007KIS/MEB3922-3931   2-C6H4CHCCH2 + H2 → Phenylallene + H·  300 - 3000                  2
    2007KIS/MEB3922-3931   Phenylallene + H· → 2-C6H4CHCCH2 + H2  300 - 3000                  2
    2007KIS/MEB3922-3931   2-propargylphenyl → 2-indenyl  300 - 3000                  1
    2007KIS/MEB3922-3931   2-indenyl → 2-propargylphenyl  300 - 3000                  1
    2007KIS/MEB3922-3931   2-C6H4CHCCH2 → 2-indenyl  300 - 3000                  1
    2007KIS/MEB3922-3931   2-indenyl → 2-C6H4CHCCH2  300 - 3000                  1
Search returned 20 records.