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Author(s):   Manion, J.A.; Louw, R.
Title:   Rates and mechanisms of gas-phase desubstitution of hexadeuteriobenzene and benzene derivatives C6H5X, X = CH3, CF3, OH, Cl, and F, by H atoms between 898 and 1039 K
Journal:   J. Phys. Chem.
Volume:   94
Page(s):   4127 - 4134
Year:   1990
Reference type:   Journal article
Squib:   1990MAN/LOU4127-4134

Reaction:   Toluene + Benzene + ·CH3
Reaction order:   2
Reference reaction:   Benzene-d6 + → Benzene-d5 + D
Temperature:   931 - 1039 K
Pressure:  1.01 bar
Rate expression:   2.57x10-11 [cm3/molecule s] e-24228 [J/mole]/RT
Category:  Experiment
Data type:   Relative value normalized by a reference value
Experimental procedure:   Flow tube - Data taken vs distance
Excitation technique:   Thermal
Time resolution:   By end product analysis
Analytical technique:   Mass spectrometry
Comments:   Rate was derived relative to H + C6D6 -> D + C6HD5, for which k/(L/mol s) = 4.90 x 1010 exp(-2350/T) was used.

The reaction mechanism is H addition/displacement.

View full bibliographic record.

Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
931 1.13E-12
950 1.20E-12
975 1.30E-12
1000 1.40E-12
1025 1.50E-12
1039 1.56E-12