Fluid Phase Equilibria, Vol.288, No.1-2, 139-144, 2010
Development of correlations for describing solute transfer into acyclic alcohol solvents based on the Abraham model and fragment-specific equation coefficients
Gas-to-alcohol partition coefficients have been compiled for 1880 different solute-alcohol combinations, which comprised 23 acyclic alcohols. These partition coefficients were converted into water-to-alcohol partition coefficients using the corresponding gas-to-water partition coefficients. Both sets of partition coefficients were analyzed using the Abraham solvation parameter model with fragment-specific equation coefficients. The derived equations correlated the experimental gas-to-alcohol and water-to-alcohol partition coefficient data to within 0.14 and 0.15 log units, respectively. The fragment-specific equation coefficients that have been calculated for the CH3, CH2, CH, C and OH fragment groups can be combined to yield expressions capable of predicting the partition coefficients of solutes in other anhydrous alcohol solvents. (C) 2009 Elsevier B.V. All rights reserved.
Keywords:Partition coefficients;Alcohol solvents;Linear free energy;Correlations;Activity coefficients;Solubilities;Henry's constants