Standard Article

Chemical Properties Estimation

  1. Robert S. Boethling1,
  2. Philip H. Howard2,
  3. William M. Meylan2

Published Online: 15 APR 2003

DOI: 10.1002/047126363X.agr073

Encyclopedia of Agrochemicals

Encyclopedia of Agrochemicals

How to Cite

Boethling, R. S., Howard, P. H. and Meylan, W. M. 2003. Chemical Properties Estimation. Encyclopedia of Agrochemicals. .

Author Information

  1. 1

    U.S. Environmental Protection Agency, Office of Pollution Prevention and Toxics, Washington, District of Columbia

  2. 2

    Syracuse Research Corporation, Environmental Science Center, North Syracuse, New York

Publication History

  1. Published Online: 15 APR 2003


This article addresses the estimation of chemical properties that determine the environmental behavior of agrochemicals and ultimately the exposure of humans and other organisms to these substances. Chemical properties frequently used in environmental assessment include melting temperature, boiling temperature, vapor pressure, n-octanol/water partition coefficient, water solubility, acid or base dissociation constant, Henry's Law, and bioconcentration/bioaccumulation factor for aquatic organisms. Also, bioaccumulation from air to vegetation and sorption to aerosols are emerging as important determinants of environmental fate.


  • chemical properties;
  • melting temperature;
  • boiling temperature;
  • vapor pressure;
  • n-octanol/water partition coefficient;
  • water solubility;
  • Henry's Law constant;
  • acid dissociation constant;
  • vegetation/air partition coefficient;
  • soil/sediment sorption coefficient;
  • bioconcentration/bioaccumulation