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Main Title Structure reactivity correlations for environmental reactions /
Author Mill, Theodore.
Other Authors
Author Title of a Work
Leifer, Asa.
Darr, James.
McCaleb, Kirtland.
CORP Author SRI International, Menlo Park, CA.;Environmental Protection Agency, Washington, DC. Office of Toxic Substances.
Publisher Office of Technical Evaluation, Office of Toxic Substances, U.S. Environmental Protection Agency,
Year Published 1979
Report Number PB80-110323; EPA-560/11-79-012; 68-01-41-09; EPA-68-01-4109
Stock Number PB80-110323
OCLC Number 32040016
Subjects Molecular structure
Additional Subjects Air pollution ; Water pollution ; Reaction kinetics ; Transport properties ; Chemical equilibrium ; pH ; Oxidizers ; Hydrolysis ; Photochemistry ; Sorption ; Vaporizing ; Soils ; Atmospheric motion ; Chemical reactions ; Path of pollutants ; Atmospheric chemistry ; Structure reactivity correlations ; Linear free energy relationships
Internet Access
Description Access URL
Local Library Info
Library Local Subject Local Note
EJE Toxic Substances Control Act (TSCA)--Testing--Statistical methods ; Structure reactivity correlations (SRC) ; Environmental fate processes ; Quantitative predictions of reactivity
Library Call Number Additional Info Location Last
EJED  EPA-560/11-79-012 OCSPP Chemical Library/Washington,DC 03/03/1995
ELBD ARCHIVE EPA 560-11-79-012 Received from HQ AWBERC Library/Cincinnati,OH 10/04/2023
NTIS  PB80-110323 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation x, 58 pages : illustrations ; 28 cm
Many of the key rate constants needed to predict rates of transformation and transport of organic chemicals in water and air can be estimated from structure-reactivity correlations (SRC) with reasonable accuracy. These rate constants can be coupled with environmental parameters such as pH or oxidant concentrations to provide estimates of rates of these processes under a variety of environmental conditions. SRC needed for zero-level testing are most abundant for hydrolysis, oxidation and sorption, and relatively scarce for photolysis and volatilization. Generalized SRC are readily used by non-expert, technically trained personnel whereas application of detailed SRC or linear free energy relationships (LFER) require expert knowledge in mechanistic chemical kinetics. An example is shown of the use of SRC methodology to estimate rate and equilibrium constants for a specific chemical.
"EPA-560/11-79-012." "August 1979." "September 1979"--Cover. "PB80-110323." "Contract 68-01-41-09." "Final report." "Task five." "Reproduced by National Technical Information Service, U.S. Department of Commerce." Includes bibliographical references (pages 55-58). Photocopy.