title: Reactions of Cl atoms with alkyl esters: kinetic, mechanism and atmospheric implications.
abstract: Rate coefficients have been measured for the reaction of Cl atoms with a series of alkyl esters at 298 ± 2 K and atmospheric pressure in a large volume photoreactor using the relative kinetic technique. The kinetic data have been used in conjunction with other literature studies on the reactions of Cl atoms with esters to revise the existing values for ester substituent factors in a structure activity relationship (SAR) for Cl reactions. Product studies are reported for the reactions of Cl atoms with isopropyl ethanoate and methyl-2-methyl-propanoate under NO x -free conditions. These studies highlight the types of products that can be expected when oxidation occurs at R groups on the acyl (-C(O)OR) and oxy (RC(O)O-) sides of the ester functionality where R is a straight or branched chain alkyl entity. Possible atmospheric repercussions of the atmospheric chemistry of esters are considered.
authors.affiliation: FB C - Department of Physical Chemistry, University of Wuppertal, Gauss Strasse 20, 42119, Wuppertal, Germany.
authors.forename: Stefanie
authors.initials: S
authors.lastname: Ifang
authors.forename: Thorsten
authors.initials: T
authors.lastname: Benter
authors.forename: Ian
authors.initials: I
authors.lastname: Barnes
mesh_terms: D001274:Atmospheric Pressure; D002087:Butyrates / Q000737:chemistry*; D002713:Chlorine / Q000737:chemistry*; D004952:Esters; D007700:Kinetics; D010084:Oxidation-Reduction; D011422:Propionates / Q000737:chemistry*; D013329:Structure-Activity Relationship; D014631:Valerates / Q000737:chemistry*
chemical_list: D002087:Butyrates; D004952:Esters; D011422:Propionates; D014631:Valerates; D002713:Chlorine