ABSTRACT

Thermophysical properties for binary mixtures -caprolactam + 1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide and cyclohexanone oxime + 1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide have been measured. New measurements of heat capacity for caprolactam (CL) in the temperature range of (260 to 370) K and parameters of fusion have been carried out. Mutual solubility of caprolactam (CL) and 1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([HMIM][NTf2]) in the wide concentration range and solubility of cyclohexanone oxime (CHO) in [HMIM][NTf2] within x(CHO) from (0.2 to 1) were studied by a visual method. Activity coefficients of the components were estimated. Vapor-liquid equilibrium (VLE) of the binary mixture CL + [HMIM][NTf2] was studied using the Knudsen method. VLE measurements were carried out over the broad concentration range at temperatures between (315.3 and 331.9) K. Activity coefficients of CL in [HMIM][NTf2] have been determined from the VLE data and are described formally by using the NRTL equation. Activity coefficients in infinity dilution of CL in [HMIM][NTf2] have been derived by extrapolation to the infinite dilution of CL. Activity coefficients at infinite dilution of CHO in the temperature range (364.9 to 438.0) K and CL at 427.5 K in [HMIM][NTf2] have been determined by gas chromatography using the ionic liquid as the stationary phase.

Compounds

#	Formula	Name
1	C6H11NO	1-aza-2-cycloheptanone
2	C12H19F6N3O4S2	1-hexyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]imide
3	C6H11NO	cyclohexanone oxime
4	H2O	water
5	C6H10O	cyclohexanone

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	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Gas	Adiabatic calorimetry	1
POMD	1	Triple point temperature, K ; Crystal			Crystal Liquid Gas	Adiabatic calorimetry	1
POMD	1	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Small (less than 1 g) adiabatic calorimetry	8
POMD	1	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Small (less than 1 g) adiabatic calorimetry	16
POMD	1	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid		Liquid Gas	Calculated from knudsen effusion weight loss	3
POMD	2	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	VISOBS	1
POMD	1 2	Activity coefficient - 1 ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid		Liquid Gas	Chromatography	1
POMD	1 2	Solid-liquid equilibrium temperature, K ; Liquid	Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	VISOBS	9
POMD	1 2	Solid-liquid equilibrium temperature, K ; Liquid	Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 2	VISOBS	4
POMD	1 2	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid		Liquid Gas	Calculated from knudsen effusion weight loss	33
POMD	3 2	Activity coefficient - 3 ; Liquid	Temperature, K; Liquid	Mole fraction - 3; Liquid	Liquid Gas	Chromatography	8
POMD	3 2	Solid-liquid equilibrium temperature, K ; Liquid	Mole fraction - 3; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 2	VISOBS	3
POMD	5 4	Liquid-liquid equilibrium temperature, K ; Liquid mixture 1	Mass fraction - 4; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	VISOBS	4

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

Solid-Liquid Equilibrium and Activity Coefficients for Caprolactam + 1-Hexyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide and Cyclohexanone Oxime + 1-Hexyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide

Shevelyova, M. P.[Marina P.], Zaitsau, D. H.[Dzmitry H.], Paulechka, Y. U.[Yauheni U.], Blokhin, A. V.[Andrey V.], Kabo, G. J.[Gennady J.]

ABSTRACT