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Author(s):   Sirjean, B.; Glaude, P.A.; Ruiz-Lopez, M.F.; Fournet, R.
Title:   Theoretical Kinetic Study of the Reactions of Cycloalkylperoxy Radicals
Journal:   J. Phys. Chem. A
Volume:   113
Page(s):   6924 - 6935
Year:   2009
Reference type:   Journal article
Squib:   2009SIR/GLA6924-6935

Reaction:   c-C5H9OO· → Cyclopentanone + ·OH
Reaction order:   1
Temperature:   300 - 1000 K
Rate expression:   2.48x1012 [s-1] (T/298 K)1.38 e-168364 [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.

View full bibliographic record.

Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
300 1.21E-17
350 2.31E-13
400 3.85E-10
450 1.25E-7
500 1.31E-5
550 5.92E-4
600 1.43E-2
650 2.15E-1
700 2.20E0
750 1.67E1
800 9.85E1
850 4.75E2
900 1.93E3
950 6.79E3
1000 2.12E4