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

被引:22
作者
Monárrez, CI
Acree, WE
Abraham, MH
机构
[1] Univ N Texas, Dept Chem, Denton, TX 76203 USA
[2] UCL, Dept Chem, London WC1H 0AJ, England
关键词
solvation model; fluorene; alcohol solvents;
D O I
10.1080/0031910029001/0428
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
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) + spi(2)(H) +aSigmaalpha(2)(H) + bSigmabeta(2)(H) + vV(x) log(C-S/C-G) = c + rR(2) + spi(2)(H) + aSigmaalpha(2)(H) + bSigmabeta(2)(H) + l log L-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, Sigmaalpha(2)(H) and Sigmabeta(2)(H) are measures of the solute's hydrogen-bond acidity and hydrogen-bond basicity, pi(2)(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%.
引用
收藏
页码:581 / 591
页数:11
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