Development of updated Abraham model correlations for predicting solute transfer into propyl acetate and isopropyl acetate from both water and the gas phase

Existing Abraham model correlations for solute transfer into both dry propyl acetate and dry isopropyl acetate are updated using larger datasets which contain an additional 58 and 31 experimental data points, respectively. The updated mathematical correlations were found to predict the experimental partition coefficient data and molar solubility ratios to within ±0.105 log units (or less). Based on past experiences, we fully expect that the updated Abraham model propyl acetate and isopropyl acetate correlations will provide reasonably accurate predictions for additional organic solutes whose descriptor values fall within the range of values used in regression analyses. Experiment-based Abraham model solute descriptors are reported for the first time for 10 solid organic compounds (specifically, 1H-indole-3-carbaldehyde, 2,6-pyridine dicarboxylate, 9,9-dimethylfluorene, diclofenac, zidovudine, Fmoc-L-aspartic acid, Fmoc-L-leucine, Fmoc-L-methionine, Fmoc-D-tryptophan and Fmoc-L-phenylalanine) in the propyl acetate and isopropyl acetate datasets used to derive the updated predictive expressions determined in the present study.