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Author(s):   Sharath, N.; Reddy, K. P. J.; Arunan, E.
Title:   Thermal Decomposition of Propargyl Alcohol: Single Pulse Shock Tube Experimental and ab Initio Theoretical Study
Journal:   J. Phys. Chem. A
Volume:   118
Page(s):   5927 - 5938
Year:   2014
Book Title:   ''
Editor:   ''
Publisher:   ''
Publisher address:   ''
Comments:   ''
Reference type:   Journal article
Squib:   2014SHA/RED5927-5938

Reaction:   CH2C≡CH + CH2C≡CHBenzene
Reaction order:   2
Temperature:   953 - 1262 K
Pressure:  9.63 - 17.23 bar
Rate expression:   1.47x10-10 [cm3/molecule s] (T/298 K)0.10 e-50208 [J/mole]/RT
Category:  Experiment
Data type:   Derived from fitting to a complex mechanism
Pressure dependence:   None reported
Experimental procedure:   Shock tube
Excitation technique:   Thermal
Time resolution:   By end product analysis
Analytical technique:   Gas chromatography
Comments:   Thermal decomposition of propargyl alcohol was investigated using a single pulse shock tube in the temperature ranging from 953 to 1262 K. The products identified include acetylene, propyne, vinylacetylene, propynal, propenal, and benzene. A detailed mechanism has been derived to explain all the observed products.

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Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
953 2.92E-13
975 3.38E-13
1000 3.95E-13
1025 4.59E-13
1050 5.29E-13
1075 6.06E-13
1100 6.91E-13
1125 7.82E-13
1150 8.81E-13
1175 9.87E-13
1200 1.10E-12
1225 1.22E-12
1250 1.35E-12
1262 1.42E-12