Prediction of solubility of two-component molecular crystals

An approach which allows one to estimate the solubility of two-component molecular crystals in various solvents at different temperatures with an accuracy of 68% (an average absolute % deviation) without any information on their melting temperatures and enthalpies was proposed. The approach is based...

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Bibliographic Details
Published in:CrystEngComm 2022-03, Vol.24 (12), p.2217-2220
Main Author: Perlovich, German L.
Format: Article
Language:English
Subjects:
Activity coefficients
Crystals
Enthalpy
Solubility
Solvents
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Summary:An approach which allows one to estimate the solubility of two-component molecular crystals in various solvents at different temperatures with an accuracy of 68% (an average absolute % deviation) without any information on their melting temperatures and enthalpies was proposed. The approach is based only on the information about the individual compounds in the co-crystal/salt: a) melting temperatures and enthalpies and b) activity coefficients in the investigated solvents at a given temperature.
ISSN:1466-8033
1466-8033
DOI:10.1039/D2CE00105E