Abstract
Correlations have been derived for the estimation of aqueous solubilities and octanol—water partition coefficients for pesticides, based solely on their molecular structure. The parameters used for obtaining these correlations are the zero order connectivity, zero order valence molecular connectivity, molecular polarizability, and carbon to hydrogen ratio. The results obtained are satisfactory for environmental appli- cations. Such correlations may be used to predict the logarithm of aqueous solubilities (<0.1) and/or the logarithm of the octanol—water partition coefficients (> −0.4) for pesticides. However, these correlations cannot be used satisfactorily for pesticides having a carbon to hydrogen ratio >/ 2, or O-analogues.
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