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

Effect of the Temperature and Coordination Atom on the Physicochemical Properties of Chelate-Based Ionic Liquids and Their Binary Mixtures with Water

Shen, M.[Minming], Che, S.[Siying], Zhang, Y.[Yuyang], Yao, J.[Jia], Li, H.[Haoran]
J. Chem. Eng. Data 2014, 59, 12, 3960-3968
ABSTRACT
Densities, viscosities and conductivities of four chelate-based ionic liquids [Li(DOBA)][Tf2N], [Li(HDA)][Tf2N], [Li(DEA)][Tf2N], and [Li(EA)][Tf2N], and their binary mixtures with water were determined. Physical properties of [Li(DEA)][Tf2N], namely, the thermal expansion coefficient of ionic liquid were calculated by empirical equations over a temperature range from 313.15 to 333.15 K. The excess molar volume (VE) and viscosity deviations ( c) were fitted by a Redlich-Kister equation. The excess molar volumes show negative deviation from ideal solution and two different behaviors between water-rich and IL-rich regions. Most viscosity deviations show negative values, except for the binary mixture of [Li(DOBA)][Tf2N]/water. The effect of chelate state on the above physicochemical properties has been discussed. Furthermore, the Walden rule was used to evaluate the relationship of molar conductivity and dynamic viscosity of these ionic liquid solutions, which indicates all of them have good ionicity.
Compounds
# Formula Name
1 C6H11F6LiN2O6S2 (diethanolamine)lithium(I) bis(trifluoromethanesulfonyl)amide
2 C4H7F6LiN2O5S2 (ethanolamine)lithium(I) bis((trifluoromethyl)sulfonyl)amide
3 C8H16F6LiN3O6S2 [2,2'-(ethylenedioxy)bis(ethylamine)]lithium(I) bis(trifluoromethanesulfonyl)amide
4 C6H12F6LiN3O5S2 (N-hydroxyethyl-1,2-ethanediamine)lithium(I) bis(trifluoromethanesulfonyl)amide
5 H2O water
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:4
  • 5
  • POMD
  • 1
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • CAPTUB:UFactor:4
  • 5
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • VIBTUB:UFactor:4
  • 1
  • POMD
  • 2
  • Viscosity, Pa*s ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • CAPTUB:UFactor:4
  • 1
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • VIBTUB:UFactor:4
  • 1
  • POMD
  • 3
  • Viscosity, Pa*s ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • CAPTUB:UFactor:4
  • 1
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • VIBTUB:UFactor:4
  • 1
  • POMD
  • 4
  • Viscosity, Pa*s ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • CAPTUB:UFactor:4
  • 1
  • POMD
  • 5
  • 3
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • VIBTUB:UFactor:4
  • 12
  • POMD
  • 5
  • 3
  • Viscosity, Pa*s ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • CAPTUB:UFactor:4
  • 12
  • POMD
  • 5
  • 4
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • VIBTUB:UFactor:4
  • 13
  • POMD
  • 5
  • 4
  • Viscosity, Pa*s ; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • CAPTUB:UFactor:4
  • 13
  • POMD
  • 5
  • 1
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • CAPTUB:UFactor:4
  • 65
  • POMD
  • 5
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:4
  • 65
  • POMD
  • 5
  • 2
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • VIBTUB:UFactor:4
  • 12
  • POMD
  • 5
  • 2
  • Viscosity, Pa*s ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • CAPTUB:UFactor:4
  • 12