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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· → Benzaldehyde +
Reaction order:   1
Temperature:   298 - 2000 K
Rate expression:   3.67x1012 [s-1] (T/298 K)1.56 e-70500 [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 1.61E0
300 1.97E0
400 3.61E3
500 3.55E5
600 7.97E6
700 7.63E7
800 4.27E8
900 1.67E9
1000 5.04E9
1100 1.26E10
1200 2.75E10
1300 5.37E10
1400 9.61E10
1500 1.60E11
1600 2.52E11
1700 3.79E11
1800 5.46E11
1900 7.62E11
2000 1.03E12