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Author(s):   Al Rashidi, M.J.; Mehl, M.; Pitz, W.J.; Mohamed, S.; Sarathy, S.M.
Title:   Cyclopentane combustion chemistry. Part I: Mechanism development and computational kinetics
Journal:   Combust. Flame
Volume:   183
Page(s):   358 - 371
Year:   2017
Reference type:   Journal article
Squib:   2017ALR/MEH358-371

Reaction:   c-C5H9OO· → Cyclopentanone + ·OH
Reaction order:   1
Temperature:   300 - 1200 K
Rate expression:   5.62x109 [s-1] (T/298 K)3.27 e-148235 [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 8.91E-17
350 7.17E-13
400 6.47E-10
450 1.34E-7
500 9.98E-6
550 3.48E-4
600 6.90E-3
650 8.81E-2
700 7.97E-1
750 5.45E0
800 2.98E1
850 1.35E2
900 5.20E2
950 1.76E3
1000 5.32E3
1050 1.46E4
1100 3.68E4
1150 8.60E4
1200 1.89E5