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

Estimation of Physicochemical Properties of Ionic Liquids [H2N-C2mim][BF4] and [H2N-C3mim][BF4]

Kurnia, K. A.[Kiki A.], Mutalib, M. I. A.[Mohamed I. Abdul], Ariwahjoedi, B.[Bambang]
J. Chem. Eng. Data 2011, 56, 5, 2557-2562
ABSTRACT
The density and surface tension of the ionic liquids 1-(2-aminoethyl)-3-methylimidazolium tetrafluoroborate, [H2N-C2mim][BF4], and 1-(3-aminopropyl)-3-methylimidazolium tetrafluoroborate, [H2N-C3mim][BF4], were measured from (293.15 to 343.15) K. The coefficient of thermal expansion, molecular volume, standard molar entropy, and lattice energy were calculated using experimental density data. Meanwhile, the surface entropy and enthalpy were calculated from surface tension data. The critical temperature of the ionic liquids was estimated using the Guggenheim and Etvos equations. The values were then used to estimate the boiling temperature of the ionic liquids according to methods of Rebelo et al. The molar enthalpy vaporization, ?lgHm0, of the ionic liquid at 298.15 K was estimated using the methods of Kabo et al. According to the interstice model, the thermal expansion coefficient of the ionic liquids, a, was calculated, and the result was in very good agreement with the experimental value.
Compounds
# Formula Name
1 C6H12BF4N3 3-(2-aminoethyl)-1-methyl-1H-imidazolium tetrafluoroborate
2 C7H14BF4N3 1-(3-aminopropyl)-3-methyl-1H-imidazolium tetrafluoroborate
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
  • Surface tension liquid-gas, N/m ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Drop weight
  • 13
  • POMD
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:8
  • 13
  • POMD
  • 2
  • Surface tension liquid-gas, N/m ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Drop weight
  • 13
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:8
  • 13