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Advisor(s)
Abstract(s)
Solution enthalpies of 18-crown-6 have been obtained for a set of 14 protic and aprotic solvents at 298.15 K. The complementary use of Solomonov's methodology and a QSPR-based approach allowed the identification of the most significant solvent descriptors that model the interaction enthalpy contribution of the solution process (Delta H-int(A/S)). Results were compared with data previously obtained for 1,4-dioxane. Although the interaction enthalpies of 18-crown-6 correlate well with those of 1,4-dioxane, the magnitude of the most relevant parameters, pi* and beta, is almost three times higher for 18-crown-6. This is rationalized in terms of the impact of the solute's volume in the solution processes of both compounds. (C) 2015 Elsevier B.V. All rights reserved.
Description
Keywords
Solution enthalpy Interaction enthalpy Cavity term Kamlet–Taft parameters QSPR 18-crown- 6
Citation
REISA, Marina; [et al.] - Use of quantitative structure-property relationships to study the solvation process of 18-crown-6. Thermochimica Acta. ISSN.0040-6031. Vol. 604 (2015), pp. 140-144
Publisher
Elsevier Science BV