Research and Development of Methods for Estimating Physicochemical Properties of Organic Compounds of Environmental Concern
Final rept. Sep 1978-Jun 1982 on Phase 1-4
LITTLE (ARTHUR D) INC CAMBRIDGE MA
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This report summarizes the four-year program undertaken to evaluate, and provide information, estimation methods for environmentally-important properties of organic chemicals. The work was conducted in four phases. Phase 1 was a problem definition study to identify those physicochemical properties that are most needed for assessments for a chemicals environmental fate and transport, and to determine which of these properties were estimable. In Phase 2, the available estimation methods for 26 properties were evaluated and described in a 1000-page handbook. Clear recommendations and instructions were provided for the use of all methods. Phase 3 included several modifications to the Phase 2 handbook to facilitate commercial publication. No formal government report was published for the Phase 3 work. In Phase 4, an interactive computer system CHEMEST incorporating several property estimation methods from the handbook was designed and implemented.
- Organic Chemistry