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Author(s):   Lockhart, J.P.A.; Goldsmith, C.F.; Randazzo, J.B.; Ruscic, B.; Tranter, R.S.
Title:   An Experimental and Theoretical Study of the Thermal Decomposition of C4H6 Isomers
Journal:   J. Phys. Chem. A
Volume:   121
Page(s):   3827 - 3850
Year:   2017
Reference type:   Journal article
Squib:   2017LOC/GOL3827-3850

Reaction:   1-butyne·CH3 + ·CH2C≡CH
Reaction order:   1
Temperature:   1000 - 2200 K
Pressure:  0.16 bar
Rate expression:   8.85x1044 [s-1] (T/298 K)-28.77 e-587852 [J/mole]/RT
Uncertainty:   1.5
Category:  Theory
Data type:   Derived from fitting to a complex mechanism
Pressure dependence:   Rate constant is pressure dependent
Experimental procedure:   Shock tube
Excitation technique:   Thermal
Time resolution:   In real time
Analytical technique:   Laser schlieren
Comments:   Error in the assigned rate coefficient is estimated at ±50%.

View full bibliographic record.

Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
1000 1.30E-1
1100 5.19E0
1200 8.99E1
1300 8.36E2
1400 4.82E3
1500 1.92E4
1600 5.71E4
1700 1.34E5
1800 2.61E5
1900 4.36E5
2000 6.41E5
2100 8.47E5
2200 1.03E6