ABSTRACT

Enthalpies of solution of 1-butyl-3-methylimidazolium tetrafluoroborate, [BMIm]BF4, are reported at 298.15 K in a set of 15 hydrogen bond donor and hydrogen bond acceptor solvents, chosen by their diversity, namely, water, methanol, ethanol, 1,2-ethanediol, 2-choroethanol, 2-methoxyethanol, formamide, propylene carbonate, nitromethane, acetonitrile, dimethyl sulfoxide, acetone, N,N-dimethylformamide, N,N-dimethylacetamide, and aniline. These values are shown to be largely independent of [BMIm]BF4 concentration. The obtained enthalpies of solution vary from very endothermic to quite exothermic, thus showing a very high sensitivity of the enthalpies of solution of [BMIm]BF4 to solvent properties. Solvent effects on the solution process of this IL are analyzed by a quantitative structure-property relationship methodology, using the TAKA equation and a modified equation, which significantly improves the model s predictive ability. The observed differences in the enthalpies of solution are rationalized in terms of the solvent properties found to be relevant, that is, p* and ETN.

Compounds

#	Formula	Name
1	H2O	water
2	CH4O	methanol
3	C2H3N	acetonitrile
4	CH3NO	formamide
5	C2H6OS	dimethyl sulfoxide
6	C8H15BF4N2	1-butyl-3-methylimidazolium tetrafluoroborate
7	C2H6O	ethanol
8	C2H6O2	1,2-ethanediol
9	C2H5ClO	1-chloro-2-hydroxyethane
10	C3H8O2	2-methoxyethan-1-ol
11	C4H6O3	4-methyl-1,3-dioxolan-2-one
12	CH3NO2	nitromethane
13	C3H6O	acetone
14	C3H7NO	dimethylformamide
15	C4H9NO	N,N-dimethylethanamide
16	C6H7N	aniline

Datasets

The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type	Compound-#	Property	Variable	Constraint	Phase	Method	#Points
POMD	1 6	Molar enthalpy of solution, kJ/mol ; Liquid	Molality, mol/kg - 6; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Thermometric 2225 precision solution calorimeter	7
POMD	1 6	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 6; Liquid Pressure, kPa; Liquid Temperature, K; Liquid		Liquid	Thermometriic 2225 precision solution calorimeter	1
POMD	2 6	Molar enthalpy of solution, kJ/mol ; Liquid	Molality, mol/kg - 6; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Thermometric 2225 precision solution calorimeter	7
POMD	2 6	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 6; Liquid Pressure, kPa; Liquid Temperature, K; Liquid		Liquid	Thermometriic 2225 precision solution calorimeter	1
POMD	3 6	Molar enthalpy of solution, kJ/mol ; Liquid	Molality, mol/kg - 6; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Thermometric 2225 precision solution calorimeter	7
POMD	3 6	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 6; Liquid Pressure, kPa; Liquid Temperature, K; Liquid		Liquid	Thermometriic 2225 precision solution calorimeter	1
POMD	4 6	Molar enthalpy of solution, kJ/mol ; Liquid	Molality, mol/kg - 6; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Thermometric 2225 precision solution calorimeter	7
POMD	4 6	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 6; Liquid Pressure, kPa; Liquid Temperature, K; Liquid		Liquid	Thermometriic 2225 precision solution calorimeter	1
POMD	5 6	Molar enthalpy of solution, kJ/mol ; Liquid	Molality, mol/kg - 6; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Thermometric 2225 precision solution calorimeter	7
POMD	5 6	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 6; Liquid Pressure, kPa; Liquid Temperature, K; Liquid		Liquid	Thermometriic 2225 precision solution calorimeter	1
POMD	7 6	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 6; Liquid Pressure, kPa; Liquid Temperature, K; Liquid		Liquid	Thermometriic 2225 precision solution calorimeter	1
POMD	8 6	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 6; Liquid Pressure, kPa; Liquid Temperature, K; Liquid		Liquid	Thermometriic 2225 precision solution calorimeter	1
POMD	9 6	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 6; Liquid Pressure, kPa; Liquid Temperature, K; Liquid		Liquid	Thermometriic 2225 precision solution calorimeter	1
POMD	10 6	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 6; Liquid Pressure, kPa; Liquid Temperature, K; Liquid		Liquid	Thermometriic 2225 precision solution calorimeter	1
POMD	11 6	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 6; Liquid Pressure, kPa; Liquid Temperature, K; Liquid		Liquid	Thermometriic 2225 precision solution calorimeter	1
POMD	12 6	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 6; Liquid Pressure, kPa; Liquid Temperature, K; Liquid		Liquid	Thermometriic 2225 precision solution calorimeter	1
POMD	13 6	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 6; Liquid Pressure, kPa; Liquid Temperature, K; Liquid		Liquid	Thermometriic 2225 precision solution calorimeter	1
POMD	14 6	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 6; Liquid Pressure, kPa; Liquid Temperature, K; Liquid		Liquid	Thermometriic 2225 precision solution calorimeter	1
POMD	15 6	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 6; Liquid Pressure, kPa; Liquid Temperature, K; Liquid		Liquid	Thermometriic 2225 precision solution calorimeter	1
POMD	16 6	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 6; Liquid Pressure, kPa; Liquid Temperature, K; Liquid		Liquid	Thermometriic 2225 precision solution calorimeter	1

Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Enthalpies of Solution of 1-Butyl-3-methylimidazolium Tetrafluoroborate in 15 Solvents at 298.15 K

Reis, M.[Marina], Leitao, R. E.[Ruben E.], Martins, F.[Filomena]

ABSTRACT