Abstract
Abstract As toxicity studies of disinfection byproducts (DBPs) progress, enhanced knowledge of the stability of DBPs can help determine the likelihood of DBP occurrence in water and thus enable accurate exposure assessments. To elucidate the roles of functional group, halogen number, and halogen type on the hydrolytic stability of halogenated DBPs, this study reviewed the hydrolysis rate constants (kH) of six groups of DBPs, including haloacetic acids, trihalomethanes, haloacetaldehydes, haloketones, haloacetonitriles, and cyanogen halides. Quantitative structure–property relationship models were developed and validated via previously tested compounds, and by extrapolation, these models were projected to nontested chemicals of emerging health concern, especially iodinated DBPs. In general, the kH values follow the order haloketone > haloacetonitrile > haloacetaldehyde >haloacetic acid > trihalomethane for chlorinated and brominated species, increase with increasing number of halogen atoms within one DBP g...
Published Version
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