NDLI: Differential Molar Heat Capacities to Test Ideal Solubility Estimations

Content Provider	Springer Nature Link
Author	Neau, Steven H. Bhandarkar, Satej V. Hellmuth, Eckhard W.
Copyright Year	1997
Abstract	Purpose. 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, ΔC$_{p}$. Since this parameter is not usually known, two assumptions have been used to simplify the expression. The first is that ΔC$_{p}$ can be considered equal to zero; the alternate assumption is that the molar entropy of fusion, ΔS$_{f}$, is an estimate of ΔC$_{p}$. 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 470K, was evaluated in this study. Methods. 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. Results. Linear data were obtained for both crystal and liquid heat capacities of sample and test compounds. For each sample, ideal solubility at 298K was calculated and compared to the two estimates generated using literature equations based on the differential molar heat capacity assumptions. Conclusions. For the compounds studied, ΔC$_{p}$ was not negligible and was closer to ΔS$_{f}$ than to zero. However, neither of the two assumptions was valid for accurately estimating the ideal solubility as given by the full equation.
Starting Page	601
Ending Page	605
Page Count	5
File Format	PDF
ISSN	07248741
Journal	Pharmaceutical Research
Volume Number	14
Issue Number	5
e-ISSN	1573904X
Language	English
Publisher	Kluwer Academic Publishers-Plenum Publishers
Publisher Date	1997-01-01
Publisher Place	New York
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Pharmacology/Toxicology Pharmacy Biochemistry Medical Law Biomedical Engineering
Content Type	Text
Resource Type	Article
Subject	Organic Chemistry Pharmacology Molecular Medicine Pharmacology (medical) Biotechnology Pharmaceutical Science

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