Title of article :
Enthalpy of solvation correlations for gaseous solutes dissolved in dimethyl sulfoxide and propylene carbonate based on the Abraham model
Author/Authors :
Christina Mintz، نويسنده , , Katherine Burton، نويسنده , , William E. Acree Jr، نويسنده , , Michael H. Abraham، نويسنده ,
Issue Information :
دوهفته نامه با شماره پیاپی سال 2007
Abstract :
Data have been assembled from the published literature on the enthalpies of solvation for more than 100 compounds in dimethyl sulfoxide and propylene carbonate. It is shown that an Abraham solvation equation with five descriptors can be used to correlate the experimental solvation enthalpies to within standard deviations of 2.80 and 2.61 kJ/mol for dimethyl sulfoxide and propylene carbonate, respectively. The derived correlations provide very accurate mathematical descriptions of the measured enthalpy of solvation data at 298 K, which in the case of dimethyl sulfoxide span a range of about 92 kJ/mol. Division of the experimental values into a training set and a test set shows that there is no bias in predictions, and that the predictive capability of the correlations is better than 3.6 kJ/mol.
Keywords :
Enthalpy of solvation , Enthalpy of transfer , Mathematical correlation , Partition coefficient , Solvation parameter model
Journal title :
Thermochimica Acta
Journal title :
Thermochimica Acta