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

Structural and Positional Isomerism Influence in the Physical Properties of Pyridinium NTf2-Based Ionic Liquids: Pure and Water-Saturated Mixtures

Oliveira, F. S.[Filipe S.], Freire, M. G.[Mara G.], Carvalho, P. J.[Pedro J.], Coutinho, J. A. P.[Joao A. P.], Lopes, J. N. C.[Jose N. Canongia], Rebelo, L. P. N.[Luis P. N.], Marrucho, I. M.[Isabel M.]
J. Chem. Eng. Data 2010, 55, 10, 4514-4520
ABSTRACT
Density and viscosity data for six pyridinium-based ionic liquids combined with the bis[(trifluoromethyl)sulfonyl]amide anion were measured at atmospheric pressure in the (278 to 363) K temperature range. The fundamental aim of this work is to study the effect of the structure of the pyridinium-based cation, namely, its alkyl chain length and structural isomers, and the position of the second alkyl substitution on the measured properties. Albeit many studies exist on the physical properties of ionic liquids in what concerns the nature of the anion and the length of the cation alkyl side chain, the effect of structural and positional isomerism on those properties is much less known. In addition and since small amounts of water influence the phase equilibrium and thermophysical properties of ionic liquids water-saturated ionic liquid samples were also studied in the (298 to 363) K temperature range. The Vogel-Tammann-Fulcher (VTF) method was applied to describe the viscosity data, and novel group contribution parameters are proposed for the ionic liquid cations presented here, thus broadening its applicability.
Compounds
# Formula Name
1 C11H14F6N2O4S2 3-methyl-1-propylpyridinium bis(trifluoromethylsulfonyl)imide
2 C12H16F6N2O4S2 1-butyl-3-methylpyridinium 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide
3 C12H16F6N2O4S2 1-butyl-4-methylpyridinium bis((trifluoromethyl)sulfonyl)amide
4 C11H14F6N2O4S2 1-butylpyridinium bis[(trifluoromethyl)sulfonyl]imide
5 C13H18F6N2O4S2 1-hexylpyridinium bis(trifluromethylsulfonyl)imide
6 C14H24N 1-octyl-3-methylpyridinium
7 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
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • CONCYL:UFactor:4
  • 18
  • POMD
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:6
  • 18
  • POMD
  • 2
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Capillary tube (Ostwald; Ubbelohde) method
  • 18
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:6
  • 18
  • POMD
  • 3
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • CONCYL:UFactor:4
  • 18
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:6
  • 18
  • POMD
  • 4
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • CONCYL:UFactor:4
  • 18
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:6
  • 18
  • POMD
  • 5
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • CONCYL:UFactor:4
  • 18
  • POMD
  • 5
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:6
  • 18
  • POMD
  • 6
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • CONCYL:UFactor:4
  • 18
  • POMD
  • 6
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:6
  • 18
  • POMD
  • 7
  • 1
  • Viscosity, Pa*s ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid - 7
  • CONCYL:UFactor:4
  • 14
  • POMD
  • 7
  • 1
  • Mass density, kg/m3 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid - 7
  • VIBTUB:UFactor:6
  • 14
  • POMD
  • 7
  • 1
  • Mole fraction - 7 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid - 7
  • Titration method
  • 1
  • POMD
  • 7
  • 2
  • Viscosity, Pa*s ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid - 7
  • CONCYL:UFactor:4
  • 14
  • POMD
  • 7
  • 2
  • Mass density, kg/m3 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid - 7
  • VIBTUB:UFactor:6
  • 14
  • POMD
  • 7
  • 2
  • Mole fraction - 7 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid - 7
  • Titration method
  • 1
  • POMD
  • 7
  • 3
  • Viscosity, Pa*s ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid - 7
  • CONCYL:UFactor:4
  • 14
  • POMD
  • 7
  • 3
  • Mass density, kg/m3 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid - 7
  • VIBTUB:UFactor:6
  • 14
  • POMD
  • 7
  • 3
  • Mole fraction - 7 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid - 7
  • Titration method
  • 1
  • POMD
  • 7
  • 4
  • Viscosity, Pa*s ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid - 7
  • CONCYL:UFactor:4
  • 14
  • POMD
  • 7
  • 4
  • Mass density, kg/m3 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid - 7
  • VIBTUB:UFactor:6
  • 14
  • POMD
  • 7
  • 4
  • Mole fraction - 7 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid - 7
  • Titration method
  • 1
  • POMD
  • 7
  • 5
  • Viscosity, Pa*s ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid - 7
  • CONCYL:UFactor:4
  • 14
  • POMD
  • 7
  • 5
  • Mass density, kg/m3 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid - 7
  • VIBTUB:UFactor:6
  • 14
  • POMD
  • 7
  • 5
  • Mole fraction - 7 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid - 7
  • Titration method
  • 1
  • POMD
  • 7
  • 6
  • Viscosity, Pa*s ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid - 7
  • CONCYL:UFactor:4
  • 14
  • POMD
  • 7
  • 6
  • Mass density, kg/m3 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid - 7
  • VIBTUB:UFactor:6
  • 14
  • POMD
  • 7
  • 6
  • Mole fraction - 7 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid - 7
  • Titration method
  • 1