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Author(s):   Giri, B.R.; AlAbbad, M.; Barker, J.R.; Farooq, A.
Title:   High temperature unimolecular decomposition of cyclopentanone
Journal:   Proc. Combust. Inst.
Volume:   37
Page(s):   267 - 273
Year:   2019
Reference type:   Journal article
Squib:   2019GIR/ALA267-273

Reaction:   Cyclopentanone → Products
Reaction order:   1
Temperature:   1200 - 2000 K
Pressure:  1.00E-2 - 10.00 bar
Rate expression:   3.2x1016 [s-1] e-336000 [J/mole]/RT
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is high pressure limit
Comments:   Rate constants were calculated over wide ranges of temperatures and pressures using master equation simulations. Falloff data and probuct branching fractions are given in a tabular format in the supporting information for the article.

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Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
1200 7.58E1
1250 2.92E2
1300 1.01E3
1350 3.20E3
1400 9.31E3
1450 2.52E4
1500 6.38E4
1550 1.52E5
1600 3.44E5
1650 7.39E5
1700 1.52E6
1750 2.99E6
1800 5.69E6
1850 1.04E7
1900 1.85E7
1950 3.20E7
2000 5.37E7