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HYDROLYSIS RATE CONSTANTS FOR ENHANCING PROPERTY-REACTIVITY RELATIONSHIPS
Citation:
Ellington, J.Jackson. HYDROLYSIS RATE CONSTANTS FOR ENHANCING PROPERTY-REACTIVITY RELATIONSHIPS. U.S. Environmental Protection Agency, Washington, D.C., EPA/600/3-89/063 (NTIS PB89220479).
Description:
Rate constants for hydrolysis in water of ten classes of organic compounds are examined with the objective of establishing new, or expanding existing, property reactivity correlations. These relationships then can be used to predict the environmental hydrolysis of chemicals that have similar molecular structure. The compound classes covered by this report include aliphatic and aromatic carboxylate esters, alkyl and aromatic halides, amides, carbamates, epoxides, nitriles, phosphate esters, alkylating agents, halogenated ethers, and oxidized sulfur compounds. Three predictive techniques (the first based on empirical correlations with derived constants, the second using infrared spectra, and the third relying on fundamental calculations requiring only chemical structure) were used to predict and compare hydrolysis rate constants for simple alkyl esters. The predicted rate constants were generally within a factor of two of each other and the laboratory-determined values.