NIST Chemical Kinetics Database

Author(s):   Egger, K.W.
Title:   The thermal intramolecular rearrangement of methyl-1,3,5-cycloheptatrienes in the gas phase. III. Kinetic data for the unimolecular skeletal rearrangement into benzene derivatives and the equilibrium between 1,3,5-cycloheptatriene and bicyclo[4.1.0]hepta-2,4-diene
Journal:   J. Am. Chem. Soc.
Volume:   90
Page(s):   6 - 11
Year:   1968
Reference type:   Journal article
Squib:   1968EGG6-11

Reaction:   1,3,5-Cycloheptatriene, 1-methyl- → 1,2-Dimethylbenzene
Reaction order:   1
Temperature:   568 - 687 K
Pressure:  1.07E-2 - 0.19 bar
Rate expression:   7.94x10¹³ [s^-1] e^{-217008 [±2170 J/mole]/RT}
Uncertainty:   1.26
Bath gas:   1,3,5-Cycloheptatriene, 1-methyl-
Category: Experiment
Data type:   Absolute value measured directly
Excitation technique:   Thermal
Analytical technique:   Gas chromatography

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Rate constant values calculated from the Arrhenius expression:

T (K)	k(T) [s^-1]
568	8.78E-7
575	1.54E-6
600	1.02E-5
625	5.80E-5
650	2.89E-4
675	1.28E-3
687	2.51E-3