ABSTRACT

The effect of the alkyl chain of 1-alkyl-3-methylimidazolium alkylsulfate ([Cnmim][CH3SO4] and [Cnmim][C2H5SO4] ionic liquids (ILs) with n between 1 to 8) on density, viscosity, and surface tension has been experimentally determined at (298.15 and 313.15) K. In addition, the quantum-chemical COSMO-RS method is used to extend the analysis of the influence of sulfate alkyl length on density by screening [Cnmim][CmH2m+1SO4] compounds with m between 1 and 8. COSMO-RS is also tested for the first time in the prediction of IL viscosities. Density and surface tension of the ILs studied decrease with the number of carbon atoms in the alkyl substituent of cation, whereas viscosity increases. All of these properties decrease as the temperature increases.

Compounds

#	Formula	Name
1	C6H12N2O4S	1,3-dimethylimidazolium methylsulfate
2	C9H18N2O4S	1-butyl-3-methylimidazolium methyl sulfate
3	C8H16N2O4S	1-ethyl-3-methylimidazolium ethyl sulfate
4	C13H26N2O4S	1-methyl-3-octylimidazolium methyl sulfate
5	C10H20N2O4S	1-butyl-3-methyl-1H-imidazolium ethyl sulfate
6	C14H28N2O4S	1-methyl-3-octylimidazolium ethyl sulfate
7	C11H22N2O4S	1-hexyl-3-methylimidazolium methyl sulfate
8	C12H24N2O4S	1-hexyl-3-methylimidazolium ethyl sulfate

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	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	2
POMD	1	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Falling or rolling sphere viscometry	2
POMD	1	Surface tension liquid-gas, N/m ; Liquid	Temperature, K; Liquid		Liquid Air at 1 atmosphere	Pendant drop shape	2
POMD	2	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	2
POMD	2	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Falling or rolling sphere viscometry	1
POMD	2	Surface tension liquid-gas, N/m ; Liquid	Temperature, K; Liquid		Liquid Air at 1 atmosphere	Pendant drop shape	2
POMD	3	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	2
POMD	3	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Falling or rolling sphere viscometry	2
POMD	3	Surface tension liquid-gas, N/m ; Liquid	Temperature, K; Liquid		Liquid Air at 1 atmosphere	Pendant drop shape	1
POMD	4	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	2
POMD	4	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Falling or rolling sphere viscometry	1
POMD	4	Surface tension liquid-gas, N/m ; Liquid	Temperature, K; Liquid		Liquid Air at 1 atmosphere	Pendant drop shape	2
POMD	5	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	2
POMD	5	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Falling or rolling sphere viscometry	2
POMD	5	Surface tension liquid-gas, N/m ; Liquid	Temperature, K; Liquid		Liquid Air at 1 atmosphere	Pendant drop shape	2
POMD	6	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	2
POMD	6	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Falling or rolling sphere viscometry	1
POMD	6	Surface tension liquid-gas, N/m ; Liquid	Temperature, K; Liquid		Liquid Air at 1 atmosphere	Pendant drop shape	2
POMD	7	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	2
POMD	7	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Falling or rolling sphere viscometry	2
POMD	7	Surface tension liquid-gas, N/m ; Liquid	Temperature, K; Liquid		Liquid Air at 1 atmosphere	Pendant drop shape	2
POMD	8	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	2
POMD	8	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Falling or rolling sphere viscometry	2
POMD	8	Surface tension liquid-gas, N/m ; Liquid	Temperature, K; Liquid		Liquid Air at 1 atmosphere	Pendant drop shape	2

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

Effect of Cationic and Anionic Chain Lengths on Volumetric, Transport, and Surface Properties of 1-Alkyl-3-methylimidazolium Alkylsulfate Ionic Liquids at (298.15 and 313.15) K

Torrecilla, J. S.[Jose S.], Palomar, J.[Jose], Garcia, J.[Julian], Rodriguez, F.[Francisco]

ABSTRACT