PMID: 9165530May 1, 1997Paper

Differential molar heat capacities to test ideal solubility estimations

Pharmaceutical Research
S H NeauE W Hellmuth

Abstract

Calculation of the ideal solubility of a crystalline solute in a liquid solvent requires knowledge of the difference in the molar heat capacity at constant pressure of the solid and the supercooled liquid forms of the solute, delta Cp. Since this parameter is not usually known, two assumptions have been used to simplify the expression. The first is that delta Cp can be considered equal to zero; the alternate assumption is that the molar entropy of fusion, delta Sf, is an estimate of delta Cp. Reports claiming the superiority of one assumption over the other, on the basis of calculations done using experimentally determined parameters, have appeared in the literature. The validity of the assumptions in predicting the ideal solubility of five structurally unrelated compounds of pharmaceutical interest, with melting points in the range 420 to 470 K, was evaluated in this study. Solid and liquid heat capacities of each compound near its melting point were determined using differential scanning calorimetry. Linear equations describing the heat capacities were extrapolated to the melting point to generate the differential molar heat capacity. Linear data were obtained for both crystal and liquid heat capacities of sample and test com...Continue Reading

Citations

Dec 31, 2008·Journal of Computational Chemistry·Kai LüderMikaela Pedersen
Apr 17, 2009·The Journal of Physical Chemistry. B·Ioannis TsivintzelisGeorgios M Kontogeorgis
Jan 25, 2006·Langmuir : the ACS Journal of Surfaces and Colloids·Lennart LindforsUlf Olsson
Jan 25, 2006·Langmuir : the ACS Journal of Surfaces and Colloids·Lennart LindforsUlf Olsson
Aug 19, 2007·Langmuir : the ACS Journal of Surfaces and Colloids·Lennart LindforsUlf Olsson
Oct 12, 2007·Molecular Pharmaceutics·German L PerlovichAnnette Bauer-Brandl
Jan 4, 2017·Molecular Pharmaceutics·Kristin LehmkemperGabriele Sadowski
May 30, 2014·Molecular Pharmaceutics·Anke PrudicGabriele Sadowski
Jun 25, 2015·Molecular Pharmaceutics·Raphael PausGabriele Sadowski
Feb 3, 2007·The Journal of Physical Chemistry. B·Jan WestergrenRoland Kjellander
Feb 3, 2007·The Journal of Physical Chemistry. B·Kai LüderRoland Kjellander
Jun 7, 2007·The Journal of Physical Chemistry. B·Kai LüderRoland Kjellander

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