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Theoretical and experimental relationships between soil adsorption octanol water partition coefficients water solubilities bio concentration factors and the parachor


, : Theoretical and experimental relationships between soil adsorption octanol water partition coefficients water solubilities bio concentration factors and the parachor. Journal of Agricultural & Food Chemistry 29(5): 1050-1059

Approximate values of the constants in the Collander equation, log K1 = .alpha. log K2 + b, where K1 and K2 are organic solvent-water partition coefficients, can be calculated when only the water concentration in the 2 organic solvents are known. When this is used, equations are derived relating adsorption on soil organic matter, octanol-water partition coefficients, water solubility and bioconcentration factors. The derived equations are closely similar to regression equations from experimental results. Measurement or calculation of one property allows prediction of the other properties to within 1 order of magnidtude. Water solubility of organic solids requires a correction for the melting point for good prediction of other properties. Relationships to the parachor are also demonstrated which allow a good preliminary assessment of the environmental partitioning properties of a compound from its chemical structure and melting point.

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