Prediction and Mathematical Correlation of the Solubility of Fluorene in Alcohol Solvents Based upon the Abraham General Solvation Model

Abstract

The Abraham general solvation model is used to predict the saturation solubility of crystalline nonelectrolyte solutes in organic solvents. The derived equations take the form of $$ \eqalign{ & \log (C_{\rm S} / C_{\rm W} ) = c + rR_2 + s\pi _2^{\rm H} + a\Sigma \alpha _2^{\rm H} + b\Sigma \beta _2^{\rm H} + vV_x \cr & \log (C_{\rm S} /C_{\rm G} ) = c + rR_2 + s\pi _2^{\rm H} + a\Sigma \alpha _2^{\rm H} + b\Sigma \beta _2^{\rm H} + l\log L^{16} \cr} $$ 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, R 2 is the solute's excess molar fraction, V x is McGowan volume of the solute, $\Sigma \alpha _2^{\rm H}$ and $\Sigma \beta _2^{\rm H}$ are measures of the solute's hydrogen-bond acidity and hydrogen-bond basicity, $\pi _2^{\rm H}$ denotes the solute's dipolarity/polarizability descriptor, and L 16 is the solute's gas phase dimensionless Ostwald partition coefficient into hexadecane at 298 K. The remaining symbols in the above expressions are known coefficients, which have been determined previously for a large number of gas/solvent and water/solvent systems. Computations show that the Abraham general solvation model predicts the observed solubility behavior of fluorene in 10 alcohol solvents to within an average absolute deviation of about - 15%.

Keywords:

• Solvation Model
• Fluorene
• Alcohol Solvents