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Accessibility information
Author(s):   Nguyen, T.L.;Peeters, J.;Vereecken, L.
Title:   Quantum chemical and statistical rate study of the reaction of O(3P) with allene: O-addition and H-abstraction channels
Journal:   J. Phys. Chem. A
Volume:   110
Page(s):   12166 - 12176
Year:   2006
Reference type:   Journal article
Squib:   2006NGU/PEE12166-12176

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
  2006NGU/PEE12166-12176   CH2=C=CH2 + → Products  200 - 1000   1.89E-12   2.05   748   1.40E-12  2
    2006NGU/PEE12166-12176   CH2=C=CH2 + C2H4 + CO  300 - 2000                  2
    2006NGU/PEE12166-12176   CH2=C=CH2 + → CH2(X3B_1) + H2C=C=O  300 - 2000                  2
    2006NGU/PEE12166-12176   CH2=C=CH2 + → CH2C(·)CHO +   300 - 2000                  2
    2006NGU/PEE12166-12176   CH2=C=CH2 + Cyclopropanone  300 - 2000                  2
    2006NGU/PEE12166-12176   CH2=C=CH2 + cyc-(H2COC)=CH2  300 - 2000                  2
    2006NGU/PEE12166-12176   CH2=C=CH2 + CH2=CHCHO  300 - 2000                  2
    2006NGU/PEE12166-12176   CH2=C=CH2 + HCO + C2H3  300 - 2000                  2
    2006NGU/PEE12166-12176   CH2=C=CH2 + CH2O + C2H2  300 - 2000                  2
    2006NGU/PEE12166-12176   CH2=C=CH2 + ·CH2C≡CH + ·OH  300 - 2000                  2

Search returned 10 records.