Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Density and refractive index in mixtures of ionic liquids and organic solvents: Correlations and predictions

Iglesias-Otero, M. A.[Manuel A.], Troncoso, J.[Jacobo], Carballo, E.[Enrique], Romani, L.[Luis]
J. Chem. Thermodyn. 2008, 40, 6, 949-956
ABSTRACT
Correlations between volumetric properties and refractive index of binary mixtures of room temperature ionic liquids (RTILs) and organic solvents were examined. To this end, the density and refractive index for a set of these systems were measured at atmospheric pressure at 298.15 K throughout the composition range. These data were used to calculate excess volumes and refractive index deviations by using expressions firmly based on the physical significance of each quantity, fact that allowed the expected relations between the two quantities to be confirmed. Based on these results, the molar refraction and free or void volume of the mixtures are calculated with a view to estimating the relative contribution of both quantities to the excess molar volume. Once molar refraction was confirmed to exhibit a near-ideal behaviour in all mixtures, a method for predicting the density and refractive index of RTIL + organic solvent mixtures was developed; the results show that this procedure can be a highly useful alternative to the usually complex experimental methods available for the thermophysical characterization of these systems.
Compounds
# Formula Name
1 C2H6O ethanol
2 CH3NO2 nitromethane
3 C2H6O2 1,2-ethanediol
4 C8H15BF4N2 1-butyl-3-methylimidazolium tetrafluoroborate
5 C9H18N2O4S 1-butyl-3-methylimidazolium methyl sulfate
6 C3H6Cl2 1,3-dichloropropane
7 C6H14O3 3,6-dioxa-1-octanol
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
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:4
  • 1
  • POMD
  • 2
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:12
  • 1
  • POMD
  • 3
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:2
  • 1
  • POMD
  • 4
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:8
  • 1
  • POMD
  • 5
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 5
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:8
  • 1
  • POMD
  • 6
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 6
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:6
  • 1
  • POMD
  • 7
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 7
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:6
  • 1
  • POMD
  • 1
  • 4
  • Refractive index (Na D-line) ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 11
  • POMD
  • 1
  • 4
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:1000
  • 11
  • POMD
  • 2
  • 4
  • Refractive index (Na D-line) ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 13
  • POMD
  • 2
  • 4
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:6
  • 13
  • POMD
  • 6
  • 4
  • Refractive index (Na D-line) ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 14
  • POMD
  • 6
  • 4
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:6
  • 14
  • POMD
  • 7
  • 4
  • Refractive index (Na D-line) ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 13
  • POMD
  • 7
  • 4
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:6
  • 13
  • POMD
  • 3
  • 4
  • Refractive index (Na D-line) ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 14
  • POMD
  • 3
  • 4
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:6
  • 14
  • POMD
  • 1
  • 5
  • Refractive index (Na D-line) ; Liquid
  • Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 14
  • POMD
  • 1
  • 5
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:6
  • 14
  • POMD
  • 2
  • 5
  • Refractive index (Na D-line) ; Liquid
  • Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 12
  • POMD
  • 2
  • 5
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:6
  • 12
  • POMD
  • 6
  • 5
  • Refractive index (Na D-line) ; Liquid
  • Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 13
  • POMD
  • 6
  • 5
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:6
  • 13
  • POMD
  • 7
  • 5
  • Refractive index (Na D-line) ; Liquid
  • Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 13
  • POMD
  • 7
  • 5
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:6
  • 13
  • POMD
  • 3
  • 5
  • Refractive index (Na D-line) ; Liquid
  • Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 14
  • POMD
  • 3
  • 5
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:1000
  • 14