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Calculation of solubility parameters of polar compounds
Author(s) -
Konstam Aaron H.,
Feairheller William R.
Publication year - 1970
Publication title -
aiche journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.958
H-Index - 167
eISSN - 1547-5905
pISSN - 0001-1541
DOI - 10.1002/aic.690160524
Subject(s) - solubility , intramolecular force , homologous series , polar , chemistry , hildebrand solubility parameter , thermodynamics , group (periodic table) , molecule , computational chemistry , crystallography , organic chemistry , physics , astronomy
A graphical method is presented for calculating solubility parameters and molar volumes of functional groups, as well as for calculating solubility parameters of high molecular weight members of a homologous series from data on low molecular weight members. These functional group solubility parameters and molar volumes have been used to extend the values of \documentclass{article}\pagestyle{empty}\begin{document}$ \sqrt {EV} $\end{document} presented earlier by Small. Finally, it is shown that the use of group contributions to calculate cohesive energy is limited by the lack of information available on the intramolecular energies of interaction of functional groups on the same molecule.