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Author(s):   da Silva, G.; Bozzelli, J.W.
Title:   Benzoxyl Radical Decomposition Kinetics: Formation of Benzaldehyde plus H, Phenyl + CH2O, and Benzene plus HCO
Journal:   J. Phys. Chem. A
Volume:   113
Page(s):   6979 - 6986
Year:   2009
Reference type:   Journal article
Squib:   2009DAS/BOZ6979-6986

Reaction:   C6H5CH2O· → CH2O + Phenyl
Reaction order:   1
Temperature:   298 - 2000 K
Rate expression:   2.67x1014 [s-1] (T/298 K)0.16 e-130373 [J/mole]/RT
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is high pressure limit
Comments:   Reaction potential energy surface was studied using quantum chemistry and rate constants were calculated using transition state theory and RRKM.

View full bibliographic record.

Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
298 3.75E-9
300 5.33E-9
400 2.64E-3
500 6.94E0
600 1.33E3
700 5.70E4
800 9.57E5
900 8.60E6
1000 5.00E7
1100 2.11E8
1200 7.01E8
1300 1.94E9
1400 4.65E9
1500 9.91E9
1600 1.92E10
1700 3.46E10
1800 5.82E10
1900 9.29E10
2000 1.41E11