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Gas‐phase reaction of ozone with trans ‐2‐hexenal, trans ‐2‐hexenyl acetate, ethylvinyl ketone, and 6‐methyl‐5‐hepten‐2‐one
Author(s) -
Grosjean Eric,
Grosjean Daniel,
Seinfeld John H.
Publication year - 1996
Publication title -
international journal of chemical kinetics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.341
H-Index - 68
eISSN - 1097-4601
pISSN - 0538-8066
DOI - 10.1002/(sici)1097-4601(1996)28:5<373::aid-kin6>3.0.co;2-s
Subject(s) - chemistry , ketone , ozone , gas phase , methyl ketone , medicinal chemistry , organic chemistry
The gas‐phase reaction of ozone with the unsaturated oxygenates trans ‐2‐hexenal, trans ‐2‐hexenyl acetate, ethylvinyl ketone, and 6‐methyl‐5‐hepten‐2‐one, which are components of biogenic emissions and/or close structural homologues thereof, has been investigated at atmospheric pressure and ambient temperature (286–291 K) and humidity (RH = 55 ± 10%). Reaction rate constants, in units of 10 −18 cm 3 molecule −1 s −1 , are 1.28 ± 0.28 for trans ‐2‐hexenal, 21.8 ± 2.8 for trans ‐2‐hexenyl acetate, and 394 ± 40 for 6‐methyl‐5‐hepten‐2‐one. Carbonyl product formation yields, measured with sufficient cyclohexane added to scavenge the hydroxyl radical, are 0.53 ± 0.06 for n ‐butanal and 0.56 ± 0.04 for glyoxal from trans ‐2‐hexenal, 0.47 ± 0.02 for n ‐butanal and 0.58 ± 0.14 for 1‐oxoethyl acetate from trans ‐2‐hexenyl acetate, 0.55 ± 0.07 for formaldehyde and 0.44 ± 0.03 for 2‐oxobutanal from ethylvinyl ketone, and 0.28 ± 0.02 for acetone from 6‐methyl‐5‐hepten‐2‐one. Reaction mechanisms are outlined and the atmospheric persistence of the compounds studied is briefly discussed. © 1996 John Wiley & Sons, Inc.