ABSTRACT

In this work, the solubility of water in several tetradecyltrihexylphosphonium-based ionic liquids at 298.15 K, and densities and viscosities of both pure and water-saturated ionic liquids in a broad temperature range were measured. The selected ionic liquids comprise the common tetradecyltrihexylphosphonium cation combined with the following anions: bromide, chloride, bis(trifluoromethylsulfonyl)imide, decanoate, methanesulfonate, dicyanamide and bis(2,4,4-trimethylpentyl)phosphinate. The isobaric thermal expansion coefficients for pure and water-saturated ionic liquids were determined based on the density dependence with temperature. Taking into account that the excess molar volumes of the current hydrophobic water-saturated ionic liquids are negligible, the solubility of water was additionally estimated from the gathered density data and compared with the experimental solubilities obtained. Moreover, the experimental densities were compared with those predicted by the Gardas and Coutinho model while viscosity data were correlated using the Vogel Tammann Fulcher method.

Compounds

#	Formula	Name
1	C34H68F6NO4PS2	trihexyl(tetradecyl)phosphonium bis[(trifluoromethyl)sulfonyl]imide
2	C32H68BrP	tetradecyltrihexylphosphonium bromide
3	C32H68ClP	trihexyl(tetradecyl)phosphonium chloride
4	C42H87O2P	trihexyltetradecylphosphonium decanoate
5	C33H71O3PS	trihexyltetradecylphosphonium methanesulfonate
6	C34H68N3P	tetradecyl(trihexyl)phosphonium dicyanamide
7	C48H102O2P2	trihexyltetradecylphosphonium bis(2,4,4-trimethylpentyl)phosphinate
8	H2O	water

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	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Concentric cylinders viscometry	17
POMD	1	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	17
POMD	1	Isobaric coefficient of expansion, 1/K ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Calculated from Density-Temperature Data	1
POMD	2	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Concentric cylinders viscometry	18
POMD	2	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	18
POMD	2	Isobaric coefficient of expansion, 1/K ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Calculated from Density-Temperature Data	1
POMD	3	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Concentric cylinders viscometry	18
POMD	3	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	18
POMD	3	Isobaric coefficient of expansion, 1/K ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Calculated from Density-Temperature Data	1
POMD	4	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Concentric cylinders viscometry	18
POMD	4	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	18
POMD	4	Isobaric coefficient of expansion, 1/K ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Calculated from Density-Temperature Data	1
POMD	5	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Concentric cylinders viscometry	18
POMD	5	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	18
POMD	5	Isobaric coefficient of expansion, 1/K ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Calculated from Density-Temperature Data	1
POMD	6	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Concentric cylinders viscometry	18
POMD	6	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	18
POMD	6	Isobaric coefficient of expansion, 1/K ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Calculated from Density-Temperature Data	1
POMD	7	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Concentric cylinders viscometry	18
POMD	7	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	18
POMD	7	Isobaric coefficient of expansion, 1/K ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Calculated from Density-Temperature Data	1
POMD	8 1	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 8; Liquid	Liquid	Concentric cylinders viscometry	14
POMD	8 1	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 8; Liquid	Liquid	Vibrating tube method	14
POMD	8 1	Isobaric coefficient of expansion, 1/K ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid Mole fraction - 8; Liquid		Liquid	Calculated from Density-Temperature Data	1
POMD	8 1	Mole fraction - 8 ; Liquid mixture 1	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1		Liquid mixture 1 Liquid mixture 2	Titration method	1
POMD	8 2	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 8; Liquid	Liquid	Concentric cylinders viscometry	14
POMD	8 2	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 8; Liquid	Liquid	Vibrating tube method	14
POMD	8 2	Isobaric coefficient of expansion, 1/K ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid Mole fraction - 8; Liquid		Liquid	Calculated from Density-Temperature Data	1
POMD	8 2	Mole fraction - 8 ; Liquid mixture 1	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1		Liquid mixture 1 Liquid mixture 2	Titration method	1
POMD	8 3	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 8; Liquid	Liquid	Concentric cylinders viscometry	14
POMD	8 3	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 8; Liquid	Liquid	Vibrating tube method	14
POMD	8 3	Isobaric coefficient of expansion, 1/K ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid Mole fraction - 8; Liquid		Liquid	Calculated from Density-Temperature Data	1
POMD	8 3	Mole fraction - 8 ; Liquid mixture 1	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1		Liquid mixture 1 Liquid mixture 2	Titration method	1
POMD	8 4	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 8; Liquid	Liquid	Concentric cylinders viscometry	14
POMD	8 4	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 8; Liquid	Liquid	Vibrating tube method	14
POMD	8 4	Isobaric coefficient of expansion, 1/K ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid Mole fraction - 8; Liquid		Liquid	Calculated from Density-Temperature Data	1
POMD	8 4	Mole fraction - 8 ; Liquid mixture 1	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1		Liquid mixture 1 Liquid mixture 2	Titration method	1
POMD	8 5	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 8; Liquid	Liquid	Concentric cylinders viscometry	14
POMD	8 5	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 8; Liquid	Liquid	Vibrating tube method	14
POMD	8 5	Isobaric coefficient of expansion, 1/K ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid Mole fraction - 8; Liquid		Liquid	Calculated from Density-Temperature Data	1
POMD	8 5	Mole fraction - 8 ; Liquid mixture 1	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1		Liquid mixture 1 Liquid mixture 2	Titration method	1
POMD	8 6	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 8; Liquid	Liquid	Concentric cylinders viscometry	14
POMD	8 6	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 8; Liquid	Liquid	Vibrating tube method	14
POMD	8 6	Isobaric coefficient of expansion, 1/K ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid Mole fraction - 8; Liquid		Liquid	Calculated from Density-Temperature Data	1
POMD	8 6	Mole fraction - 8 ; Liquid mixture 1	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1		Liquid mixture 1 Liquid mixture 2	Titration method	1
POMD	8 7	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 8; Liquid	Liquid	Concentric cylinders viscometry	14
POMD	8 7	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 8; Liquid	Liquid	Vibrating tube method	14
POMD	8 7	Isobaric coefficient of expansion, 1/K ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid Mole fraction - 8; Liquid		Liquid	Calculated from Density-Temperature Data	1
POMD	8 7	Mole fraction - 8 ; Liquid mixture 1	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1		Liquid mixture 1 Liquid mixture 2	Titration method	1

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Thermophysical properties of pure and water-saturated tetradecyltrihexylphosphonium-based ionic liquids

Neves, C. M. S. S.[Catarina M.S.S.], Carvalho, P. J.[Pedro J.], Freire, M. G.[Mara G.], Coutinho, J. A. P.[Joao A. P.]

ABSTRACT