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FATE, THE ENVIRONMENTAL FATE CONSTANTS INFORMATION SYSTEM DATABASE
Citation:
Kollig, H., K. Hamrick, AND B. Kitchens. FATE, THE ENVIRONMENTAL FATE CONSTANTS INFORMATION SYSTEM DATABASE. U.S. Environmental Protection Agency, Washington, D.C., EPA/600/3-91/045 (NTIS PB91216192).
Description:
A new online database, designated the FATE database, has been developed for the interactive retrieval of kinetic and equilibrium constants that are needed for assessing the fe of chemicals in the environment. he database contains values for twelve parameters, but may not contain a value for each parameter for each chemical. s of June 1991, the database contained values for about 200 chemicals. nique features of the database include experimental data that are extracted only from primary references and pertinent experimental conditions that are entered into the database to assure the user of the credibility and applicability of a value. ewly developed computer program is used to extrapolate hydrolysis rate constants to a standard format. cidic, basic and neutral contributions are combined to calculate the overall hydrolysis rate constant and the half-life of the chemical at 25 degrees C and pH 7. he data also are reported as second-order acidic and basic rates and a first-order neutral rate at 25 degrees C. roducts of transformation are listed for degradation processes when available. ewly developed computerized expert system will be applied to compute accurate fate constant values. he expert system has the capability of crossing chemical boundaries to cover all organic compounds.