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Author(s):   Awan, I.A.; Burgess, D.R.; Tsang, W.; Manion, J.A.;
Title:   Standard reactions for comparative rate studies: Experiments on the dehydrochlorination reactions of 2-chloropropane, chlorocyclopentane, and chlorocyclohexane
Journal:   Int J. Chem. Kinet.
Volume:   44
Page(s):   351 - 368
Year:   2012
Reference type:   Journal article
Squib:   2012AWA/BUR351-368

Reaction:   Cyclopentane, chloro-Cyclopentene + HCl
Reaction order:   1
Temperature:   600 - 1600 K
Pressure:  1.00E-2 - 10.00 bar
Rate expression:   1.64x1012 [s-1] (T/298 K)1.75 e-193893 [J/mole]/RT
Category:  Experiment
Data type:   RRK(M) extrapolation
Pressure dependence:   Rate constant is high pressure limit
Experimental procedure:   Shock tube
Excitation technique:   Thermal
Time resolution:   By end product analysis
Analytical technique:   GC-MS
Comments:   Absolute rate constants have been derived using k(cyclohexene→ethene + butadiene) = 1.4×1015 exp(–33,500/T ) s−1. The quoted high-pressure-limit expression is the results of RRKM/Master Equation modeling analysis of the experimental results of this study with the literature data from lower temperature static studies, as well as reference dehydrochlorination reactions. Calculated deviations from the high-pressure-limit values are provided in tabular format for pressures between 0.01 and 10 bar.

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Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
600 7.34E-5
700 2.48E-2
800 2.02E0
900 6.32E1
1000 1.01E3
1100 9.98E3
1200 6.80E4
1300 3.49E5
1400 1.43E6
1500 4.90E6
1600 1.45E7