Thermodynamics Research Center, ThermoML : Journal of Chemical Thermodynamics

Thermophysical and electrochemical properties of 1-alkyl-3-(3-butenyl)imidazolium bromide ionic liquids

Vranes, Milan, Papovic, Snezana, Rackov, Sanja, Alenezi, Khalaf, Gadzuric, Slobodan, Tot, Aleksandar, Pilic, Branka
J. Chem. Thermodyn. 2019, 139, 105871
ABSTRACT
In this work, a series of ionic liquids (ILs) with unsaturated and variety of different alkyl chain lengths, 1-alkyl-3-(3-butenyl)imidazolium bromide (([RC3 = Cim][Br]), R = methyl (C1), ethyl (C2) or butyl (C4)) were synthesized in order to provide their physical and electrochemical characteristics before any further step are taken involving them on an industrial scale. Thermogravimetric analysis and differential scanning calorimetry were applied to determine their thermal properties. Density and electrical conductivity measurements were performed at atmospheric pressure (p = 0.1 MPa) and in the temperature range from T = (283.15 to 323.15) K and T = (293.15 to 323.15), respectively. The interactions between constituting ions of these pure unsaturated ILs are explored by a combination of experimentally obtained physicochemical properties, as well as molecular dynamics and quantum chemistry.
Compounds
# Formula Name
1 C8H13BrN2 1-(3-butenyl)-3-methylimidazolium bromide
2 C9H15BrN2 1-(3-butenyl)-3-ethylimidazolium bromide
3 C11H19BrN2 1-(3-butenyl)-3-butylimidazolium bromide
4 H2O water
5 C12H19F6N3O4S2 1-hexyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]imide
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
  • Triple point temperature, K ; Glass
  • Glass
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 9
  • POMD
  • 1
  • Electrical conductivity, S/m ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Direct current cell with electrodes
  • 7
  • POMD
  • 2
  • Triple point temperature, K ; Glass
  • Glass
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 2
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 9
  • POMD
  • 2
  • Electrical conductivity, S/m ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Direct current cell with electrodes
  • 7
  • POMD
  • 3
  • Triple point temperature, K ; Glass
  • Glass
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 9
  • POMD
  • 3
  • Electrical conductivity, S/m ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Direct current cell with electrodes
  • 7
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 9
  • POMD
  • 5
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 9