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

Effect of Cation Structure in Trifluoromethanesulfonate-Based Ionic Liquids: Density, Viscosity, and Aqueous Biphasic Systems Involving Carbohydrates as Salting-Out Agents

Okuniewski, M.[Marcin], Paduszynski, K.[Kamil], Domanska, U.[Urszula]
J. Chem. Eng. Data 2016, 61, 3, 1296-1304
ABSTRACT
This work reports new experimental data on density and viscosity of pure ionic liquids (ILs) based on trifluoromethanesulfonate anion, [CF3SO3]. In particular, a cation-core effect on these basic solvent characteristics is demonstrated and investigated. The studied structures comprise representative 1-butyl-1-methylpyrrolidinium, 1-butyl-1-methylpiperidinium, and 1-butyl-3-methylpyridinium cations. In the main part of this work, the possibility to form aqueous biphasic systems (ABS) based on the studied ILs and four carbohydrates, namely, d-(+)-glucose, d-(-)-fructose, d-sorbitol, and xylitol, was tested. Liquid liquid equilibrium phase diagrams at T = 298.15 K, including binodal curves and tie lines, were determined for 12 distinct ABS, and then, an impact of the type of cation of IL (pyrrolidinium, piperidinium, and pyridinium) on these properties was elucidated and discussed in terms of the molecular structure of both ILs and carbohydrates and molecular interactions between them. Moreover, an effect of temperature on ABS formation is also presented for a selected representative system.
Compounds
# Formula Name
1 C10H20F3NO3S 1-butyl-1-methylpyrrolidinium trifluoromethanesulfonate
2 C11H22F3NO3S 1-butyl-1-methylpiperidinium trifluoromethanesulfonate
3 C11H16F3NO3S 1-butyl-3-methylpyridinium trifluoromethanesulfonate
4 C6H12O6 D-glucose
5 C6H12O6 D-fructose
6 C6H14O6 D-sorbitol
7 C5H12O5 xylitol
8 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
  • Vibrating tube method
  • 15
  • POMD
  • 1
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 15
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 7
  • POMD
  • 2
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 7
  • POMD
  • 3
  • Mass density, kg/m3 ; Metastable liquid
  • Temperature, K; Metastable liquid
  • Pressure, kPa; Metastable liquid
  • Metastable liquid
  • Vibrating tube method
  • 15
  • POMD
  • 3
  • Viscosity, Pa*s ; Metastable liquid
  • Temperature, K; Metastable liquid
  • Pressure, kPa; Metastable liquid
  • Metastable liquid
  • Falling or rolling sphere viscometry
  • 15
  • POMD
  • 4
  • 8
  • 1
  • Mass fraction - 4 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mass fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 100
  • POMD
  • 4
  • 8
  • 1
  • Mass fraction - 4 ; Liquid mixture 2
  • Mass fraction - 4 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 1; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Phase equilibration
  • Phase equilibration
  • Phase equilibration
  • 2
  • POMD
  • 5
  • 8
  • 1
  • Mass fraction - 5 ; Liquid mixture 1
  • Mass fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 50
  • POMD
  • 5
  • 8
  • 1
  • Mass fraction - 5 ; Liquid mixture 1
  • Mass fraction - 5 ; Liquid mixture 2
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 1; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Phase equilibration
  • Phase equilibration
  • Phase equilibration
  • 3
  • POMD
  • 6
  • 8
  • 1
  • Mass fraction - 6 ; Liquid mixture 1
  • Mass fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 39
  • POMD
  • 6
  • 8
  • 1
  • Mass fraction - 6 ; Liquid mixture 1
  • Mass fraction - 6 ; Liquid mixture 2
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 1; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Phase equilibration
  • Phase equilibration
  • Phase equilibration
  • 3
  • POMD
  • 7
  • 8
  • 1
  • Mass fraction - 7 ; Liquid mixture 1
  • Mass fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 28
  • POMD
  • 7
  • 8
  • 1
  • Mass fraction - 7 ; Liquid mixture 1
  • Mass fraction - 7 ; Liquid mixture 2
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 1; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Phase equilibration
  • Phase equilibration
  • Phase equilibration
  • 3
  • POMD
  • 4
  • 8
  • 2
  • Mass fraction - 4 ; Liquid mixture 1
  • Mass fraction - 2; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 25
  • POMD
  • 4
  • 8
  • 2
  • Mass fraction - 4 ; Liquid mixture 2
  • Mass fraction - 2 ; Liquid mixture 1
  • Mass fraction - 4 ; Liquid mixture 1
  • Mass fraction - 2; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Phase equilibration
  • Phase equilibration
  • Phase equilibration
  • 2
  • POMD
  • 5
  • 8
  • 2
  • Mass fraction - 5 ; Liquid mixture 1
  • Mass fraction - 2; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 23
  • POMD
  • 5
  • 8
  • 2
  • Mass fraction - 5 ; Liquid mixture 1
  • Mass fraction - 5 ; Liquid mixture 2
  • Mass fraction - 2 ; Liquid mixture 2
  • Mass fraction - 2; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Phase equilibration
  • Phase equilibration
  • Phase equilibration
  • 2
  • POMD
  • 6
  • 8
  • 2
  • Mass fraction - 6 ; Liquid mixture 1
  • Mass fraction - 2; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 26
  • POMD
  • 6
  • 8
  • 2
  • Mass fraction - 6 ; Liquid mixture 2
  • Mass fraction - 6 ; Liquid mixture 1
  • Mass fraction - 2 ; Liquid mixture 1
  • Mass fraction - 2; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Phase equilibration
  • Phase equilibration
  • Phase equilibration
  • 2
  • POMD
  • 7
  • 8
  • 2
  • Mass fraction - 7 ; Liquid mixture 1
  • Mass fraction - 2; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 22
  • POMD
  • 7
  • 8
  • 2
  • Mass fraction - 7 ; Liquid mixture 1
  • Mass fraction - 7 ; Liquid mixture 2
  • Mass fraction - 2 ; Liquid mixture 2
  • Mass fraction - 2; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Phase equilibration
  • Phase equilibration
  • Phase equilibration
  • 2
  • POMD
  • 4
  • 8
  • 3
  • Mass fraction - 4 ; Liquid mixture 1
  • Mass fraction - 3; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 33
  • POMD
  • 4
  • 8
  • 3
  • Mass fraction - 4 ; Liquid mixture 1
  • Mass fraction - 4 ; Liquid mixture 2
  • Mass fraction - 3 ; Liquid mixture 2
  • Mass fraction - 3; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Phase equilibration
  • Phase equilibration
  • Phase equilibration
  • 2
  • POMD
  • 5
  • 8
  • 3
  • Mass fraction - 5 ; Liquid mixture 1
  • Mass fraction - 3; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 28
  • POMD
  • 5
  • 8
  • 3
  • Mass fraction - 5 ; Liquid mixture 1
  • Mass fraction - 5 ; Liquid mixture 2
  • Mass fraction - 3 ; Liquid mixture 2
  • Mass fraction - 3; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Phase equilibration
  • Phase equilibration
  • Phase equilibration
  • 2
  • POMD
  • 6
  • 8
  • 3
  • Mass fraction - 6 ; Liquid mixture 1
  • Mass fraction - 3; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 24
  • POMD
  • 6
  • 8
  • 3
  • Mass fraction - 6 ; Liquid mixture 1
  • Mass fraction - 6 ; Liquid mixture 2
  • Mass fraction - 3 ; Liquid mixture 2
  • Mass fraction - 3; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Phase equilibration
  • Phase equilibration
  • Phase equilibration
  • 2
  • POMD
  • 7
  • 8
  • 3
  • Mass fraction - 7 ; Liquid mixture 1
  • Mass fraction - 3; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 26
  • POMD
  • 7
  • 8
  • 3
  • Mass fraction - 7 ; Liquid mixture 2
  • Mass fraction - 7 ; Liquid mixture 1
  • Mass fraction - 3 ; Liquid mixture 1
  • Mass fraction - 3; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Phase equilibration
  • Phase equilibration
  • Phase equilibration
  • 2