Prediction and mathematical correlation of the solubility of fluorene in alcohol solvents based upon the Abraham general solvation model

摘要

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 log(C_S/C_W) = c + rR_2 + sπ_2~H + aΣα_2~H + bΣβ_2~H + vV_x log(C_S/C_W) = c + rR_2 + sπ_2~H + aΣα_2~H + bΣβ_2~H + llogL~(16) 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, Σα_2~H and Σβ_2~H are measures of the solute's hydrogen-bond acidity and hydrogen-bond basicity π_2~H denotes the solute's dipolarity/polariability 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%.