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Accessibility information
Author(s):   Klippenstein, S.J.; Miller, J.A.
Title:   The addition of hydrogen atoms to diacetylene and the heats of formation of i-C4H3 and n-C4H3
Journal:   J. Phys. Chem. A
Volume:   109
Page(s):   4285 - 4295
Year:   2005
Reference type:   Journal article
Squib:   2005KLI/MIL4285-4295

Reaction:   1,3-Butadiyne + → HCCCHCH·
Reaction order:   3
Temperature:   250 - 2500 K
Rate expression:   5.88x10-25 [cm6/molecule2 s] (T/298 K)-8.90 e-10488 [J/mole]/RT
Category:  Theory
Data type:   Other theoretical
Pressure dependence:   Rate constant is low pressure limit
Comments:   Fc=0.0748 exp(2.372x10-4T)

View full bibliographic record.

Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm6/molecule2 s]
250 1.81E-26
300 8.27E-27
400 1.82E-27
500 4.70E-28
600 1.41E-28
700 4.83E-29
800 1.84E-29
900 7.69E-30
1000 3.46E-30
1100 1.66E-30
1200 8.42E-31
1300 4.48E-31
1400 2.48E-31
1500 1.42E-31
1600 8.45E-32
1700 5.16E-32
1800 3.23E-32
1900 2.07E-32
2000 1.36E-32
2100 9.05E-33
2200 6.15E-33
2300 4.24E-33
2400 2.97E-33
2500 2.11E-33