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Group additivity approach for determination of solvation enthalpies of aromatic compounds in 1-butyl-3-methylimidazolium tetrafluoroborate based on solution calorimetry data.
- Source :
-
Journal of Molecular Liquids . Jun2017, Vol. 236, p278-282. 5p. - Publication Year :
- 2017
-
Abstract
- In this work thermochemistry of solvation of mono-, di-, tri- and tetra-substituted benzenes in 1-butyl-3-methylimidazolium tetrafluoroborate ([BMIM][BF 4 ]) ionic liquid was studied. Enthalpies of solution at infinite dilution of 34 substituted benzenes in [BMIM][BF 4 ] were measured at 298.15 K using solution calorimetry technique. Based on the experimental and literature data enthalpies of solvation of 36 substituted benzenes in [BMIM][BF 4 ] were calculated. It was shown that enthalpies of solvation of substituted benzenes in [BMIM][BF 4 ] are independent on the mutual position of subtituents and dipole moment of molecules. Group contribution scheme for prediction of enthalpies of solvation of substituted benzenes was applied. Values of methyl- (CH 3 ), tert -butyl- ( tert -C 4 H 9 ), bromo- (Br), iodo- (I), amino- (NH 2 ), methoxy- (OCH 3 ), dimethylamino- (N(CH 3 ) 2 ), methylcarboxylate- (COOCH 3 ) group contributions to the enthalpies of solvation in [BMIM][BF 4 ] were derived and compared with molecular solvents. Solvation enthalpies of substituted benzenes in [BMIM][BF 4 ] calculated through group contribution scheme were in good agreement with experimental data. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 01677322
- Volume :
- 236
- Database :
- Academic Search Index
- Journal :
- Journal of Molecular Liquids
- Publication Type :
- Academic Journal
- Accession number :
- 123039832
- Full Text :
- https://doi.org/10.1016/j.molliq.2017.04.047