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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:   C6H5OCH2· → 1-oxaspiro[2.5]octa-4,7-dien-5-yl
Reaction order:   1
Temperature:   298 - 2000 K
Rate expression:   1.09x1012 [s-1] (T/298 K)0.44 e-79622 [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.

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Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
298 1.21E-2
300 1.50E-2
400 4.97E1
500 6.59E3
600 1.74E5
700 1.82E6
800 1.07E7
900 4.25E7
1000 1.29E8
1100 3.21E8
1200 6.90E8
1300 1.32E9
1400 2.31E9
1500 3.76E9
1600 5.76E9
1700 8.41E9
1800 1.18E10
1900 1.60E10
2000 2.10E10