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Author(s):   Orlando, J.J.; Tyndall, G.S.; Apel, E.C.; Riemer, D.D.; Paulson, S.E.
Title:   Rate Coefficients and Mechanisms of the Reaction of Cl-Atoms with a Series of Unsaturated Hydrocarbons Under Atmospheric Conditions
Journal:   Int. J
Volume:   35
Page(s):   334 - 353
Year:   2003
Reference type:   Journal article
Squib:   2003ORL/TYN334-353

Reaction:   CH2=C(CH3)CH=CH2 + ·Cl → Products
Reaction order:   2
Temperature:   298 K
Pressure:  1.01 bar
Rate expression:   4.3x10-10 [±6.0x10-11 cm3/molecule s]
Bath gas:   Air
Category:  Experiment
Data type:   Relative value normalized by a reference value
Pressure dependence:   None reported
Experimental procedure:   Static or low flow - Data taken vs time
Excitation technique:   Flash photolysis (laser or conventional)
Time resolution:   By end product analysis
Analytical technique:   Fourier transform (FTIR)
Comments:   The authors have used the relative rate technique to study the reaction of Cl atoms with a number of unsaturated species, including isoprene, methacrolein (MACR), methyl vinyl ketone (MVK), 1,3-butadiene, trans-2-butene, and 1-butene. Reactions were carried out at room temperature in synthetic air and/or nitrogen. Numerous products in the Cl atom initiated oxidation were identified and mechanistic discussion is provided.

Absolute rate coefficients were derived in conjunction with recommended values for the reaction of Cl with propane, k = 1.43 ?10-10 cm3 molecule-1 s-1 (independent of pressure), propene, k = 2.63 ?10-10 cm3 molecule-1 s-1 (at 700 Torr total pressure), and/or ethene, k = 0.99 ?10-10 cm3 molecule-1 s-1 (at 700 Torr total pressure).

Absolute value was derived relative to reaction C3H8 + Cl -> PRODUCTS. Uncertainties are 1 standard deviation and are precision only.

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