ABSTRACT

The molecular interactions between the ionic liquid trimethylbutylammomium bis(trifluoromethylsulfonyl)imide, [N1114][Tf2N], and three common solvents, including short chain alcohols (ethanol and 1-propanol) and an aprotic solvent (N,N-dimethylformamide or DMF) were investigated through experimental properties. The excess enthalpies were measured by calorimetry at temperatures from 308.15 K to 323.15 K over the whole composition range and excess volumes were calculated from density measurements. The vapor liquid equilibrium (VLE) measurements of the [N1114][Tf2N] + DMF mixture were obtained using a headspace gas chromatography instrument. It was determined that hydrogen bonds between the alcohol molecules contribute to the positive excess enthalpies, while the favorable interactions between DMF and [N1114][Tf2N] might be explained by electrostatic interactions between the ionic liquid and the zwitterionic resonance structure of DMF. The nonrandom two liquid (NRTL) equation was successfully used to correlate the excess enthalpy and VLE results.

Compounds

#	Formula	Name
1	C9H18F6N2O4S2	butyltrimethylammonium bis(trifluoromethylsulfonyl)imide
2	C2H6O	ethanol
3	C3H8O	propan-1-ol
4	C3H7NO	dimethylformamide
5	C2H6OS	dimethyl sulfoxide

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	2 1	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Temperature, K; Liquid Mole fraction - 2; Liquid	Pressure, kPa; Liquid	Liquid	Calvet calorimetry	32
POMD	2 1	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Mole fraction - 2; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	130
POMD	3 1	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Temperature, K; Liquid Mole fraction - 3; Liquid	Pressure, kPa; Liquid	Liquid	Calvet calorimetry	32
POMD	3 1	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Mole fraction - 3; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	110
POMD	4 1	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Temperature, K; Liquid Mole fraction - 4; Liquid	Pressure, kPa; Liquid	Liquid	Calvet calorimetry	28
POMD	4 1	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid Mole fraction - 4; Liquid		Liquid Gas	gas chromatograph	28
POMD	4 1	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Mole fraction - 4; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	110
POMD	5 1	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Mole fraction - 5; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Calvet calorimetry	17

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

Phase Equilibrium, Excess Enthalpies and Densities of Binary Mixtures of Trimethylbutylammonium Bis(trifluoromethylsulfonyl)imide with Ethanol, 1-Propanol and Dimethylformamide

Massel, M.[Marjorie], Revelli, A.-L.[Anne-Laure], Paharik, E.[Ethan], Rauh, M.[Maribeth], Mark, L.[Lesli], Brennecke, J.[Joan]

ABSTRACT