Development of updated Abraham model correlations for predicting solute transfer into 1,4-dioxane and methyl acetate from both water and the gas phase

Existing Abraham model correlations for solute transfer into both dry 1,4-dioxane and dry methyl acetate are updated using larger datasets that contained an additional 46 and 71 experimental data points, respectively. The updated mathematical correlations were found to predict the experimental partition coefficient data and molar solubility ratios to within ±0.155 log units (or less). For the most part, there was very little difference in the numerical values of the equation coefficients between the earlier and updated Abraham model expressions. The lone exception is the bk equation coefficient in the water-to-methyl acetate solute transfer correlation, which corresponds to the organic solvent’s ability to act as a hydrogen-bond donor. The observed difference in the bk-coefficient is attributed to the inclusion of additional molecules having large B descriptor values into the expanded data set used to derive our updated equation.