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Title: Study of the Thermodynamics (Thermal and Cl Catalyzed) and Kinetics of the Cis and Trans Isomerizations of CF3CF=CHF, CF3CH=CHCF3, and CH3CH=CHCH3 in 100-950 Torr of N2 Diluent at 296-875 K: Effect of F and CF3 Substitution on the Isomerization Process Including the Fluorine "Cis Effect"
Journal: J. Phys. Chem. A
Volume: 119
Page(s): 9000 - 9017
Year: 2015
Comments: 10.1021/acs.jpca.5b06265
Reference type: Journal article
Squib: 2015KAI/PIE9000-9017
Reaction:
(Z)-2-C4H8 → (E)-2-C4H8 View full bibliographic record.
Reaction order:
1
Temperature:
751 - 874
K
Pressure: 0.99 - 1.09 bar
Rate expression:
8.9x1013 [s-1] e-264617 [±2824 J/mole]/RT
Category: Experiment
Data type:
Absolute value measured directly
Pressure dependence:
Rate constant is high pressure limit
Experimental procedure:
Static or low flow - Data taken vs time
Excitation technique:
Direct photolysis
Time resolution:
In real time
Analytical technique:
Gas chromatography
Comments:
The uncertainty in the preexponential factor is expressed as follows: A = 1013.95 ± 0.23 s-1.
Rate constant values calculated from the Arrhenius expression:
T (K) k(T) [s-1]
751
3.51E-5
775
1.30E-4
800
4.70E-4
825
1.57E-3
850
4.88E-3
874
1.36E-2