NIST Chemical Kinetics Database

Author(s):   Madden, L.K.; Moskaleva, L.V.; Kristyan, S.; Lin, M.C.
Title:   Ab initio MO study of the unimolecular decomposition of the phenyl radical
Journal:   J. Phys. Chem. A
Volume:   101
Page(s):   6790 - 6797
Year:   1997
Reference type:   Journal article
Squib:   1997MAD/MOS6790-6797

Reaction:   Phenyl → C₂H₂ + HCCCHCH·
Reaction order:   1
Temperature:   700 - 2500 K
Pressure:  1.01 bar
Rate expression:   3.32x10³³ [s^-1] (T/298 K)^-16.60 e^{-567047 [J/mole]/RT}
Bath gas:   Ar
Category: Experiment
Data type:   RRK(M) extrapolation

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Rate constant values calculated from the Arrhenius expression:

T (K)	k(T) [s^-1]
700	1.13E-15
800	2.39E-11
900	4.39E-8
1000	1.49E-5
1100	1.51E-3
1200	6.26E-2
1300	1.31E0
1400	1.63E1
1500	1.33E2
1600	7.82E2
1700	3.51E3
1800	1.26E4
1900	3.78E4
2000	9.70E4
2100	2.19E5
2200	4.42E5
2300	8.14E5
2400	1.38E6
2500	2.19E6