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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· → C6H5CH(·)OH
Reaction order:   1
Temperature:   298 - 2000 K
Rate expression:   6.35x108 [s-1] (T/298 K)4.26 e-83094 [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 1.73E-6
300 2.23E-6
400 3.14E-2
500 1.20E1
600 7.31E2
700 1.52E4
800 1.60E5
900 1.06E6
1000 5.04E6
1100 1.88E7
1200 5.80E7
1300 1.55E8
1400 3.68E8
1500 7.94E8
1600 1.59E9
1700 2.96E9
1800 5.24E9
1900 8.84E9
2000 1.43E10