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Accessibility information
Author(s):   Tokmakov, I.V.; Lin, M.C.
Title:   Kinetics and Mechanism for the H-for-X Exchange Process in the H + C6H5X Reactions: A Computational Study
Journal:   Int J. Chem. Kinet.
Volume:   33
Page(s):   633 - 653
Year:   2001
Reference type:   Journal article
Squib:   2001TOK/LIN633-653

Reaction:   ipso-C7H9Toluene +
Reaction order:   1
Temperature:   400 - 2000 K
Rate expression:   3.76x1013 [s-1] e-114324 [J/mole]/RT
Category:  Theory
Data type:   Ab initio
Pressure dependence:   Rate constant is high pressure limit

View full bibliographic record.


Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
400 4.43E-2
500 4.29E1
600 4.19E3
700 1.11E5
800 1.29E6
900 8.71E6
1000 4.01E7
1100 1.40E8
1200 3.97E8
1300 9.59E8
1400 2.04E9
1500 3.93E9
1600 6.97E9
1700 1.15E10
1800 1.81E10
1900 2.71E10
2000 3.89E10