Abstract
A simple method for the calculation of the enthalpy of solvation is presented and demonstrated for 35 n-alkane + n-alkane solutions at 25°C. There is a good agreement between the predicted and experimental values. The calculation was based on the separation of the solvation enthalpy into the cavity formation and solute-solvent interaction contributions. The former term was determined from the activation enthalpy of the solvent viscous flow and solute molar volume while the latter on the basis of the dispersion energy using van der Waals diameters for n-propyl group. The procedure was also successful in prediction of the vaporization enthalpy of C5−C17 n-alkanes.
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Nikolić, A.D. Predictions of solvation and vaporization enthalpies. 1.n-alkane +n-alkane solutions. J Solution Chem 22, 253–262 (1993). https://doi.org/10.1007/BF00649248
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DOI: https://doi.org/10.1007/BF00649248