ABSTRACT

In this work, some new dual functionalized imidazolium-based ionic liquids 3-(3-butyl-1H-imidazol-3-ium-1-yl)propanenitrile chloride [C2CNBim]Cl, 3-(3-allyl-1H-imidazol-3-ium-1-yl)propanenitrile chloride [C2CNAim]Cl, 3-[3-(2-hydroxyethyl)-1H-imidazol-3-ium-1-yl]propanenitrile chloride [C2CNHEim]Cl, and 3-(3-benzyl-1H-imidazol-3-ium-1-yl)propanenitrile chloride [C2CNBzim]Cl have been synthesized and characterized by 1H NMR, FTIR, and elemental analysis. Their thermophysical properties such as viscosity and density were measured for a temperature range of (293.15 to 353.15) K at atmospheric pressure, and their refractive indices were measured in the range of (293.15 to 333.15) K. The effect of functionalized side chains on their thermophysical properties was studied. The thermal expansion coefficient values were calculated using experimental density values. Thermal behavior of these ionic liquids was investigated using a thermogravimetric analyzer (TGA) and differential scanning calorimetry (DSC).

Compounds

#	Formula	Name
1	C13H14ClN3	1-(2-cyanoethyl)-3-(phenylmethyl)-1H-imidazolium chloride
2	C10H16ClN3	3-butyl-1-(2-cyanoethyl)-1H-imidazol-3-ium chloride
3	C9H12ClN3	3-allyl-1-(2-cyanoethyl)-1H-imidazolium chloride
4	C8H12ClN3O	1-(2-cyanoethyl)-3-(2-hydroxyethyl)-1H-imidazolium chloride

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	Triple point temperature, K ; Glass			Glass Liquid Air at 1 atmosphere	DTA	1
POMD	1	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	CONCYL:UFactor:2	7
POMD	1	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VIBTUB:UFactor:16	12
POMD	2	Triple point temperature, K ; Glass			Glass Liquid Air at 1 atmosphere	DTA	1
POMD	2	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	CONCYL:UFactor:2	13
POMD	2	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Standard Abbe refractometry	9
POMD	2	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VIBTUB:UFactor:16	13
POMD	3	Triple point temperature, K ; Glass			Glass Liquid Air at 1 atmosphere	DTA	1
POMD	3	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	CONCYL:UFactor:2	12
POMD	3	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Standard Abbe refractometry	9
POMD	3	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VIBTUB:UFactor:16	13
POMD	4	Triple point temperature, K ; Glass			Glass Liquid Air at 1 atmosphere	DTA	1
POMD	4	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	CONCYL:UFactor:2	11
POMD	4	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Standard Abbe refractometry	9
POMD	4	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VIBTUB:UFactor:16	13

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

Thermophysical Properties of Dual Functionalized Imidazolium-Based Ionic Liquids

Muhammad, N.[Nawshad], Man, Z.[Zakaria], Ziyada, A. K.[Abobakr K.], Bustam, M. A.[M. Azmi], Mutalib, M. I. A., Wilfred, C. D.[Cecilia D.], Rafiq, S.[Sikander], Tan, I. M.[Isa Mohd]

ABSTRACT