Development of Abraham Model Correlations for Solute Transfer into the tert-Butyl Acetate Mono-Solvent and Updated Equations for Both Ethyl Acetate and Butyl Acetate

Abstract

Experimental solubilities were determined for 31 solid nonelectrolyte organic compounds dissolved in tert-butyl acetate at 298.15 K. Results of the experimental measurements were combined with published mole fraction solubility data for two lipid-lowering medicinal compounds (lovastatin and simvastatin) in order to derive Abraham model expressions for solute transfer into the tert-butyl acetate mono-solvent. The derived correlations provided an accurate mathematical description of the observed experimental data. As part of the current study, previously published Abraham model solvent correlations for both ethyl acetate and butyl acetate were updated using much larger datasets that contained an additional 64 and 35 experimental data points, respectively. The mathematical correlations presented in the current study describe the observed solubility ratios of solutes dissolved in tert-butyl acetate, ethyl acetate, and butyl acetate to within an overall standard deviation of 0.15 log units or less.

Reichardt’s Dye-Based Solvent Polarity and Abraham Solvent Parameters: Examining Correlations and Predictive Modeling

“…Similarly, we gathered Abraham solvent parameters, including the ionic parameters j + and j − where applicable, from the relevant literature sources [20,24,[32][33][34][35]. Once again, we retained only the most recent values.…”