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 Author(s):   Lindstedt, P.; Maurice, L.; Meyer, M.
Title:   Thermodynamic and Kinetic Issues in the Formation and Oxidation of Aromatic Species
Journal:   Faraday Discuss.
Volume:   119
Page(s):   409 - 432
Year:   2001
Reference type:   Journal article
Squib:   2001LIN/MAU409-432

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

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Plot   Squib   Reaction   Temp [K]   A   n   Ea [J/mole]   k(298.00 K)   Order
  2001LIN/MAU409-432   Styrene + H· → H2 + 2-Phenylethenyl  900 - 1800   2.00E-12   2.53   5.12E04      2
  2001LIN/MAU409-432   Styrene + H· → H2 + 2-(·)C6H4C2H3  900 - 1800   3.32E-11       4.06E04      2
  2001LIN/MAU409-432   Styrene + O· → Phenyl + CH3CO  900 - 1800   5.81E-11       1.19E04      2
  2001LIN/MAU409-432   Styrene + O· → ·OH + 2-Phenylethenyl  900 - 1800   6.67E-11   1.91   1.56E04      2
  2001LIN/MAU409-432   H· + 2-(·)C6H4C2H3 → Styrene  900 - 1800   1.30E-10       1.19E04      2
  2001LIN/MAU409-432   O2 + 2-(·)C6H4C2H3 → H2C=C=O + C6H5O·  900 - 1800   3.12E-12       3.13E04      2
  2001LIN/MAU409-432   Benzyl + ·CH3 → Ethylbenzene  900 - 1800   1.66E-11              2
  2001LIN/MAU409-432   C6H4(C2H)C2H2· → 2-Naphthalenyl  900 - 1800   1.00E10              1
  2001LIN/MAU409-432   C2H2 + C6H5CC· → C6H5CCCHCH·  900 - 1800   6.64E-11       4.23E04      2
  2001LIN/MAU409-432   C6H5CCCHCH· → 2-Naphthalenyl  900 - 1800   1.00E10              1
  2001LIN/MAU409-432   O2 + 2-Naphthalenyl → naphthalen-2-olate + O·  900 - 1800   2.66E-12       3.13E04      2
  2001LIN/MAU409-432   H· + 1H-inden-1-yl → Indene  900 - 1800   8.30E-11              2
  2001LIN/MAU409-432   Indene + H· → H2 + 1H-inden-1-yl  900 - 1800   8.30E-11              2
  2001LIN/MAU409-432   Indene + O· → ·OH + 1H-inden-1-yl  900 - 1800   8.30E-11              2
  2001LIN/MAU409-432   Indene + ·OH → H2O + 1H-inden-1-yl  900 - 1800   8.30E-11              2
  2001LIN/MAU409-432   C2H2 + 2-Phenylethenyl → phenyl, cis-(Z)-2-(buta-1,3-dien-1-yl)  900 - 1800   6.64E-11       4.23E04      2
  2001LIN/MAU409-432   C2H2 + 2-(·)C6H4C2H3 → C6H4(C2H3)C2H2·  900 - 1800   6.64E-11       4.23E04      2
  2001LIN/MAU409-432   C6H4(C2H3)C2H2· → Naphthalen-2-yl, 3,4-dihydro  900 - 1800   1.00E10              1
  2001LIN/MAU409-432   Vinylacetylene + Phenyl → 1-phenyl-1,3-butadien-2-yl  900 - 1800   4.65E-11       4.23E04      2
  2001LIN/MAU409-432   1-phenyl-1,3-butadien-2-yl → phenyl, (E)-2-(buta-1,3-dien-1-yl)  900 - 1800   1.00E13       3.60E04      1
  2001LIN/MAU409-432   phenyl, (E)-2-(buta-1,3-dien-1-yl) → phenyl, cis-(Z)-2-(buta-1,3-dien-1-yl)  900 - 1800   1.00E13       1.88E05      1
  2001LIN/MAU409-432   phenyl, cis-(Z)-2-(buta-1,3-dien-1-yl) → Naphthalen-2-yl, 3,4-dihydro  900 - 1800   1.00E10              1
  2001LIN/MAU409-432   Cyclopentadienyl + Cyclopentadienyl → Naphthalen-1-yl, 1,4-dihydro + H·  900 - 1800   3.32E-11       3.35E04      2
  2001LIN/MAU409-432   CH2=C=CH2 + Phenyl → C6H5CH2C(·)=CH2  900 - 1800   1.66E-11              2
  2001LIN/MAU409-432   C6H5CH2C(·)=CH2 → 3-Phenyl-1-propyne + H·  900 - 1800   1.00E13       1.50E05      1
  2001LIN/MAU409-432   C6H5CH2C(·)=CH2 → Phenylallene + H·  900 - 1800   1.00E13       1.38E05      1
  2001LIN/MAU409-432   C6H5CH2C(·)=CH2 → C6H4(·)CH2CHCH2  900 - 1800   1.00E13       1.70E04      1
  2001LIN/MAU409-432   C6H4(·)CH2CHCH2 → C6H5C3H4·  900 - 1800   1.00E10              1
  2001LIN/MAU409-432   C6H5C3H4· → Indene + H·  900 - 1800   1.00E13       1.37E05      1
  2001LIN/MAU409-432   C6H5CH2CH=CH(·) → 3-Phenyl-1-propyne + H·  900 - 1800   1.00E13       1.37E05      1
  2001LIN/MAU409-432   C6H4(·)C3H5 → Indene + H·  900 - 1800   1.00E13       9.00E04      1
  2001LIN/MAU409-432   C6H5(CH3)CHC· → C6H5C3H4·  900 - 1800   1.00E10              1
  2001LIN/MAU409-432   Vinylacetylene + Phenyl → C6H5CHCCCH2 + H·  900 - 1800   4.65E-11       4.23E04      2
  2001LIN/MAU409-432   Vinylacetylene + Phenyl → C6H5CCCHCH2 + H·  900 - 1800   4.65E-11       4.23E04      2
  2001LIN/MAU409-432   C6H5CHCCCH2 + H· → Naphthalen-2-yl, 3,4-dihydro  900 - 1800   1.66E-10              2
  2001LIN/MAU409-432   C6H5CCCHCH2 + H· → Naphthalen-2-yl, 3,4-dihydro  900 - 1800   1.66E-10              2
  2001LIN/MAU409-432   CH2(1) + 1H-inden-1-yl → C6H5C3HCH2 + H·  900 - 1800   1.99E-10              2
  2001LIN/MAU409-432   ·CH2 + 1H-inden-1-yl → C6H5C3HCH2 + H·  900 - 1800   4.98E-11              2
  2001LIN/MAU409-432   Cyclopentadienyl + CH2=C=CH → C5H4C3H3 + H·  900 - 1800   3.32E-11       2.60E04      2
  2001LIN/MAU409-432   C5H4C3H3 → Phenylacetylene + H·  900 - 1800   3.00E13       2.42E05      1
  2001LIN/MAU409-432   ·CH2CH=CH2 + Cyclopentadienyl → C5H4CH2CHCH2 + H·  900 - 1800   3.32E-11       2.60E04      2
  2001LIN/MAU409-432   C5H4CH2CHCH2 → Styrene + H·  900 - 1800   3.00E13       1.72E05      1
  2001LIN/MAU409-432   Phenyl + HCCCHCH· → C6H5CCCHCH2  900 - 1800   1.66E-11              2
  2001LIN/MAU409-432   Phenyl + CH2=CHCH=CH· → phenyl, cis-(Z)-2-(buta-1,3-dien-1-yl) + H·  900 - 1800   1.66E-11              2
  2001LIN/MAU409-432   ·CH2CH=CH2 + Phenyl → H· + C6H5CH2C(·)=CH2  900 - 1800   1.66E-11              2
Search returned 45 records.