Enthalpy of solvation correlations for organic solutes and gases dissolved in N,N-dimethylformamide and tert-butanol

被引:30
作者
Mintz, Christina [1 ]
Burton, Katherine [1 ]
Ladlie, Tara [1 ]
Clark, Michael [2 ]
Acree, William E., Jr. [1 ]
Abraham, Michael H. [3 ]
机构
[1] Univ N Texas, Dept Chem, Denton, TX 76203 USA
[2] Univ N Texas, Dept Res & Stat Support, Denton, TX 76203 USA
[3] UCL, Dept Chem, London WC1H 0AJ, England
基金
美国国家科学基金会;
关键词
Enthalpy of solvation; Linear free energy relationships; Molecular solute descriptors; Predictive methods; EXCESS MOLAR ENTHALPIES; VAPOR-LIQUID-EQUILIBRIA; BINARY-MIXTURES; ORGANOMETALLIC COMPOUNDS; BUTYL ALCOHOL; HUMIC-ACID; PURE BASE; WATER; SOLVENTS; SOLUBILITY;
D O I
10.1016/j.molliq.2008.09.002
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
Data have been assembled from the published literature on the enthalpies of solvation for 159 compounds dissolved in N,N-dimethylformamide and for 84 compounds dissolved in tert-butanol. It is shown that an Abraham solvation equation can be used to correlate the experimental enthalpies of solvation in N,N-dimethylformamide and tert-butanol to within standard deviations of 3.08 kJ/mol and 2.48 kJ/mol, respectively. The derived correlations provide very accurate mathematical descriptions of the measured enthalpy of solvation data at 298 K, which in the case of N,N-dimethylformamide span a range of about 108 kJ/mol. Mathematical correlations have also been derived for predicting the enthalpies of solvation in both solvents based on the Goss modified version of the Abraham model. Expressions based on this latter model were found to correlate the experimental enthalpies of solvation to within an overall average standard deviation of 2.82 kJ/mol for the two solvents studied. (C) 2008 Elsevier B.V. All rights reserved.
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页码:23 / 31
页数:9
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