ChemPhysChem 2010-12-17

Rate coefficients for reactions of OH and Cl with esters.

Peng Liang, Yujing Mu, Véronique Daële, Abdelwahid Mellouki

Index: ChemPhysChem 11(18) , 4097-102, (2010)

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Abstract

Rate coefficients for the gas-phase reactions of OH radicals with n-propyl butyrate (k(1)), n-butyl propionate (k(2)) and n-butyl butyrate (k(3)) are measured by both absolute and relative methods. The kinetics data obtained over the temperature range 273-372 K are used to derive the Arrhenius expressions (in units of cm(3) molecule(-1) s(-1)): k(1)=(1.92±0.50)×10(-12) exp[(400±80)/T], k(2)=(2.98±1.32)×10(-12) exp[(209±139)/T] and k(3)=(5.35±3.34)×10(-12) exp[(180±194)/T]. In addition, the rate coefficients for reactions of the three esters with Cl atoms are determined by the relative-rate method at room temperature and atmospheric pressure. The rate coefficients measured are (in units of 10(-10) cm(3) molecule(-1) s(-1)) as follows: n-propyl butyrate (1.4±0.1), n-butyl propionate (1.6±0.1), and n-butyl butyrate (1.7±0.1). The values obtained are presented, compared with previous determinations and discussed. Reactivity trends and atmospheric implications resulting from this work are also presented.