Research and Development of Methods for Estimating Physicochemical Properties of Organic Compounds of Environmental Concern

Abstract

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 chemical's 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.

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Document Details

Document Type
Technical Report
Publication Date
Jun 01, 1982
Accession Number
ADA129481

Entities

People

  • Warren J. Lyman

Organizations

  • Arthur D. Little

Tags

DTIC Thesaurus Topics

  • Biodegradation
  • Biomedical Research
  • Boiling Point
  • Books
  • Chemical Properties
  • Chemistry
  • Coefficients
  • Diffusion Coefficient
  • Environmental Protection
  • Equations
  • Heat Energy
  • Materials
  • Organic Compounds
  • Refractive Index
  • Standards
  • Surface Tension
  • Vapor Pressure

Readers

  • Agricultural Chemistry/Soil Science
  • Instructional Design and Training Evaluation.
  • Regression Analysis.