Publication Type Journal Article
Title Use of quantitative structure-property relationships to study the solvation process of 18-crown-6
Authors Marina Reis N. G. C. Nunes R. Elvas-Leitão F. Martins
Groups MET
Journal THERMOCHIMICA ACTA
Year 2015
Month March
Volume 604
Number
Pages 140-144
Abstract 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.
DOI http://dx.doi.org/10.1016/j.tca.2015.02.005
ISBN
Publisher
Book Title
ISSN 0040-6031
EISSN 1872-762X
Conference Name
Bibtex ID ISI:000351644300018
Observations
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