NIST Chemical Kinetics Database

Author(s):   McGivern, W.S.;Manion, J.A.;Tsang, W.
Title:   Ring-expansion reactions in the thermal decomposition of tert-butyl-1,3-cyclopentadiene
Journal:   J. Phys. Chem. A
Volume:   110
Page(s):   12822 - 12831
Year:   2006
Reference type:   Journal article
Squib:   2006MCG/MAN12822-12831

Reaction:   5-isopropylcyclopenta-1,3-diene → Toluene + ·CH₃
Reaction order:   1
Temperature:   996 - 1127 K
Pressure:  1.82 - 2.60 bar
Rate expression:   2.0x10¹³ [s^-1] e^{-62800 [J/mole]/RT}
Category: Experiment
Data type:   Derived from fitting to a complex mechanism
Experimental procedure:   Shock tube
Time resolution:   In both real time and by end product analysis
Analytical technique:   GC-MS

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Rate constant values calculated from the Arrhenius expression:

T (K)	k(T) [s^-1]
996	1.02E10
1000	1.05E10
1025	1.26E10
1050	1.50E10
1075	1.78E10
1100	2.08E10
1125	2.43E10
1127	2.46E10