modelling the preferential solvation of ferulic acid in {2propanol (1) + water (2)} mixtures at 298.15 k

Background: recently haq et al. reported the equilibrium solubility in {2- propanol (1) + water (2)} mixtures at several temperatures with some numerical correlation analysis. nevertheless, no attempt was made to evaluate the preferential solvation of this compound by the solvents. methods: preferential solvation of ferulic acid in the saturated mixtures at 298.15 k was analyzed based on the inverse kirkwood-buff integrals as described in the literature. results: ferulic acid is preferentially solvated by water in water-rich mixtures (0.00 < x1 < 0.19) but preferentially solvated by 2-propanol in mixtures with composition 0.19 < x1 < 1.00. conclusion: these results could be interpreted as a consequence of hydrophobic hydration around the non-polar groups of the solute in the former case (0.00 < x1 < 0.19). moreover, in the last case (0.19 < x1 < 1.00), the observed trend could be a consequence of the acid behavior of ferulic acid in front to 2-propanol molecules because this cosolvent is more basic than water as described by the respective solvatochromic parameters.