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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:   C6H5CH(·)OH → C6H5CH2
Reaction order:   1
Temperature:   298 - 2000 K
Rate expression:   8.11x108 [s-1] (T/298 K)3.88 e-167193 [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 4.01E-21
300 6.46E-21
400 3.73E-13
500 2.06E-8
600 3.41E-5
700 7.44E-3
800 4.53E-1
900 1.17E1
1000 1.64E2
1100 1.48E3
1200 9.49E3
1300 4.70E4
1400 1.89E5
1500 6.44E5
1600 1.91E6
1700 5.06E6
1800 1.22E7
1900 2.71E7
2000 5.61E7