Laura M. Grubbs

Determination of the Abraham model solute descriptors for 3,5-dinitro-2-methylbenzoic acid from measured solubility data in organic solvents

Experimental solubilities are reported for 3,5-dinitro-2-methylbenzoic acid dissolved in 14 alcohol and 5 alkyl acetate solvents at 298.15 K. The measured solubility data were mathematically correlated with the Abraham solvation parameter model. The solute descriptors that were calculated for 3,5-dinitro-2-methylbenzoic acid describe the experimental molar solubility data to within an overall average standard deviation of 0.081 log units.

Prediction of Partition Coeffecients and Permeability of Drug Molecules in Biological Systems with Abraham Model Solute Descriptors Derived from Measured Solubilities and Water-to-Organic Solvent Partition Coefficients

Book chapter on the prediction of partition coefficients and permeability of drug molecules in biological systems with Abraham model solute descriptors derived from measured solubilities and water-to-organic solvent partition coefficients.

Selection of Ionic Liquid Solvents for Chemical Separations Based on the Abraham Model

Book chapter on the selection of ionic liquid solvents for chemical separations based on the Abraham model.

Prediction of Toxicity, Sensory Responses and Biological Responses with the Abraham Model

This book chapter discusses the prediction of toxicity, sensory responses and biological responses with the Abraham model.

Solubility of anthracene in binary alkane + ethanol solvent mixtures at 298.15 K

Experimental solubilities are reported for anthracene in six binary alkane + ethanol solvent mixtures at 298.15 K. The alkane solvents studied were hexane, heptane, octane, cyclohexane, methylcyclohexane and 2,2,4-trimethylpentane. Results of these measurements were used to test a mathematical representation based on the combined nearly ideal binary solvent (NIBS)/Redlich–Kister equation. For the six systems studied, the combined NIBS/Redlich–Kister equation was found to accurately describe the experimental data, with an average absolute deviation between measured and back-calculated values being approximately ±0.5%.