| Main Title |
FATE, the Environmental Fate Constants Information Database. |
| Author |
Kollig, H. P. ;
Kitchens, B. E. ;
Hamrick, K. J. ;
|
| CORP Author |
Environmental Research Lab., Athens, GA. ;Computer Sciences Corp., Athens, GA. |
| Publisher |
c1993 |
| Year Published |
1993 |
| Report Number |
EPA/600/J-93/228; |
| Stock Number |
PB93-205110 |
| Additional Subjects |
Environmental transport ;
Chemical compounds ;
Path of pollutants ;
Information systems ;
Pollution sources ;
Reaction kinetics ;
Hydrolysis ;
pH ;
Expert systems ;
Chemical equilibrium ;
Reprints ;
FATE data base
|
| Holdings |
| Library |
Call Number |
Additional Info |
Location |
Last
Modified |
Checkout
Status |
| NTIS |
PB93-205110 |
Some EPA libraries have a fiche copy filed under the call number shown. |
|
07/26/2022 |
|
| Collation |
6p |
| Abstract |
An online database, FATE, has been developed for the interactive retrieval of kinetic and equilibrium constants that are needed for assessing the fate of chemicals in the environment. The database contains values for up to 12 parameters for each chemical. As of December 1991, FATE contained values for about 200 chemicals. FATE is unique in that experimental data are extracted only from primary references. Pertinent experimental conditions are included in the database to support the credibility and applicability of a value. Transformation products are included when they are available. A new computer program is used to extrapolate measured hydrolysis rate constant data to a standard format. Acidic, basic, and neutral contributions are combined to calculate the overall hydrolysis rate constant, and the half-life of the chemical at 25 deg C and pH 7. The data are reported as second-order acidic and basic rates and a first-order neutral rate at 25 deg C. A new computerized expert system will be applied to compute fate constant values that are more reliable than many measured values. The expert system has the capability of crossing chemical boundaries to cover all organic compounds. (Copyright (c) 1993 American Chemical Society.) |
| Supplementary Notes |
Pub. in Jnl. of Chemical Information and Computer Sciences, v33 n1 p131-134 Jan 93. See also PB89-138796 and PB91-216192. Prepared in cooperation with Computer Sciences Corp., Athens, GA. |
| NTIS Title Notes |
Journal article. |
| Title Annotations |
Reprint: FATE, the Environmental Fate Constants Information Database. |
| Category Codes |
68; 99F; 88B |
| NTIS Prices |
PC A02/MF A01 |
| Primary Description |
600/01 |
| Document Type |
NT |
| Cataloging Source |
NTIS/MT |
| Control Number |
323828462 |
| Origin |
NTIS |
| Type |
CAT |
