1. Solubility of crystalline nonelectrolyte solutes in organic solvents: Mathematical correlation of ibuprofen solubilities with the Abraham solvation parameter model.
- Author
-
Stovall, D. M., Givens, C., Keown, S., Hoover, K. R., Rodriguez, E., Acree, W. E., and Abraham, M. H.
- Subjects
- *
SOLUBILITY , *SOLUTION (Chemistry) , *IBUPROFEN , *ANALGESICS , *ORGANIC solvents , *HYDROGEN , *DISTRIBUTION (Probability theory) - Abstract
The Abraham solvation parameter model is used to calculate the numerical values of the solute descriptors for ibuprofen from experimental solubilities in organic solvents. The mathematical correlations take the form of where C S and C W refer to the solute solubility in the organic solvent and water, respectively, C G is a gas phase concentration, E is the solute excess molar refraction, V is McGowan volume of the solute, A and B are measures of the solute hydrogen-bond acidity and hydrogen-bond basicity, S denotes the solute dipolarity/polarizability descriptor and L is the logarithm of the solute gas phase dimensionless Ostwald partition coefficient into hexadecane at 298?K. The remaining symbols in the above expressions are known solvent coefficients, which have been determined previously for a large number of gas/solvent and water/solvent systems. The Abraham solvation parameter model was found to describe the experimental solubility data of ibuprofen to within an overall standard deviation of 0.109 log units. [ABSTRACT FROM AUTHOR]
- Published
- 2005
- Full Text
- View/download PDF