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

Effect of Temperature, Anion, and Alkyl Chain Length on the Density and Refractive Index of 1-Alkyl-3-methylimidazolium-Based Ionic Liquids

Montalban, M. G., Bolivar, C. L., Banos, F. G. D., Villora, G.
J. Chem. Eng. Data 2015, 60, 7, 1986-1996
ABSTRACT
The density and refractive index of 15 room temperature ionic liquids (ILs) grouped according to whether they had the same cation or anion have been measured at atmospheric pressure in a temperature range from 293.15 K to 343.15 K. Changes in the physical properties have been quantified as a function of temperature and alkyl chain length for each cation or anion family. It has been observed that ionic liquid density increases when the alkyl length of the cation decreases but not with the molecular weight of the anion. We have proposed a new method to assign the ionic volume of each component in an IL that explains the trend, followed by all experimental data in this work, and allows us to predict the molecular volume and density of many ILs prior to synthesis. It was also seen that the refractive index increases as alkyl chain length of the cation increases. The temperature-dependent correlation between density and refraction index for the ILs studied has been quantified.
Compounds
# Formula Name
1 C6H11BF4N2 1-ethyl-3-methylimidazolium tetrafluoroborate
2 C8H15BF4N2 1-butyl-3-methylimidazolium tetrafluoroborate
3 C10H19BF4N2 1-hexyl-3-methylimidazolium tetrafluoroborate
4 C12H23BF4N2 1-methyl-3-octylimidazolium tetrafluoroborate
5 C7H11F3N2O3S 1-ethyl-3-methylimidazolium trifluoromethanesulfonate
6 C9H15F3N2O3S 1-butyl-3-methylimidazolium trifluoromethanesulfonate
7 C16H32N2O4S 1-butyl-3-methylimidazolium octyl sulfate
8 C8H15F6N2P 1-butyl-3-methylimidazolium hexafluorophosphate
9 C10H19F6N2P 1-hexyl-3-methylimidazolium hexafluorophosphate
10 C12H23F6N2P 1-octyl-3-methylimidazolium hexafluorophosphate
11 C8H11F6N3O4S2 1-ethyl-3-methylimidazolium bis((trifluoromethyl)sulfonyl)imide
12 C10H15F6N3O4S2 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide
13 C12H19F6N3O4S2 1-hexyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]imide
14 C14H23F6N3O4S2 1-octyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]imide
15 C8H16N2O4S 1-ethyl-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
  • VIBTUB:UFactor:2
  • 6
  • POMD
  • 1
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 6
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:2
  • 6
  • POMD
  • 2
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 6
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:2
  • 6
  • POMD
  • 3
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 6
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:2
  • 6
  • POMD
  • 4
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 6
  • POMD
  • 5
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:2
  • 6
  • POMD
  • 5
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 6
  • POMD
  • 6
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:2
  • 6
  • POMD
  • 6
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 6
  • POMD
  • 7
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:2
  • 6
  • POMD
  • 7
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 6
  • POMD
  • 8
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:2
  • 6
  • POMD
  • 8
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 6
  • POMD
  • 9
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:2
  • 6
  • POMD
  • 9
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 6
  • POMD
  • 10
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:2
  • 6
  • POMD
  • 10
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 6
  • POMD
  • 11
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:2
  • 6
  • POMD
  • 11
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 6
  • POMD
  • 12
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:2
  • 6
  • POMD
  • 12
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 6
  • POMD
  • 13
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:2
  • 6
  • POMD
  • 13
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 6
  • POMD
  • 14
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:2
  • 6
  • POMD
  • 14
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 6
  • POMD
  • 15
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:4
  • 6
  • POMD
  • 15
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 6