Abstract
A review is presented of the relationships between aqueous solubility, melting point, vapour pressure, boiling point, Henry’s Law constant, sorption partition coefficient, bioconcentration factor, octanol/water partition coefficient, and molecular structure. It is suggested that progress towards establishing quantitative structureactivity relationships can best be made by considering four categories of properties and their linking equations, namely molecular descriptors, fundamental thermodynamic functions, physical-chemical properties, and environmental partitioning quantities.
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