The random contact point model for pair interaction coefficients of unlike solute molecules

The random contact point model described in previous papers is extended to include like-unlike pair interaction coefficients. On the basis of this extension we present the thermodynamics of group interactions involving alkyl, hydroxyl and amide (peptide) groups and water molecules. The values obtained for the Gibbs energy of group interaction (absolute values ranging from 1.5 to 9.8 kJ-mol^-1) indicate that all these groups attract or repel each other in aqueous solutions with comparable strength. Group interaction parameters obtained from aqueous and non-aqueous systems, and based on interaction coefficients and other thermodynamic quantities, agree well. The model also allows for the quantification, though not for the prediction, of the cooperativity of hydrophobic interaction.