A structure–activity relationship (SAR) for predicting rate constants for the reaction of NO3, OH and O3 with monoalkenes and conjugated dienes

Abstract

A simple method of predicting rate constants for the reaction between NO₃, OH or O₃ and substituted alkenes (monoalkenes and conjugated dienes) has been demonstrated using a simple structure–activity relationship (SAR) based on the structure of the alkene. The SAR is useful in providing an initial estimate of an unknown rate constant for a reaction of an alkene and the important tropospheric oxidants NO₃, OH or O₃.