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Author(s):   Antonov, I. O.; Kwok, J.; Zador, J.; Sheps, L.
Title:   A Combined Experimental and Theoretical Study of the Reaction OH+2-Butene in the 400-800 K Temperature Range
Journal:   J. Phys. Chem. A
Volume:   119
Page(s):   7742 - 7752
Year:   2015
Book Title:   ''
Editor:   ''
Publisher:   ''
Publisher address:   ''
Comments:   ''
Reference type:   Journal article
Squib:   2015ANT/KWO7742-7752

Reaction:   (E)-2-C4H8 + ·OHH2O + (E)-CH3CH=CHCH2
Reaction order:   2
Temperature:   550 - 1339 K
Pressure:  1.00 - 3.00 bar
Rate expression:   4.4x10-10 [±4.1x10-11 cm3/molecule s] e-26232 [±715 J/mole]/RT
Category:  Experiment
Data type:   Experimental value and limited review
Pressure dependence:   Rate constant is pressure independent
Experimental procedure:   Static or low flow - Data taken vs time
Excitation technique:   Flash photolysis (laser or conventional)
Time resolution:   In real time
Analytical technique:   Laser induced fluorescence
Comments:   Experiments were performed within the 400 - 800 K range. Reaction potential energy surface was studied using quantum chemistry and product channels were analyzed. Theory was used to assist interpretation of the expriemental data. Results of the current work combined with those of earlier studies performed at higher temperatures result in the recommended Arrhenius expression.

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Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
550 1.42E-12
600 2.29E-12
650 3.43E-12
700 4.85E-12
750 6.55E-12
800 8.53E-12
850 1.08E-11
900 1.32E-11
950 1.59E-11
1000 1.88E-11
1050 2.18E-11
1100 2.50E-11
1150 2.83E-11
1200 3.17E-11
1250 3.53E-11
1300 3.89E-11
1339 4.17E-11