Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Estimation of physicochemical properties of 1-alkyl-3-methylimidazolium glutamate

Fang, D.-W.[Da-Wei], Yan, Q.[Qiang], Li, D.[Du], Xia, L.-X.[Li-Xin], Zang, S.-L.[Shu-Liang]
J. Chem. Thermodyn. 2014, 79, 12-18
ABSTRACT
Amino acid ionic liquids (AAILs) [C5mim][Glu] (1-pentyl-3-methylimidazolium glutamate) and [C6mim][Glu] (1-hexyl-3-methylimidazolium glutamate) were prepared by the neutralization method and characterized by 1H NMR spectroscopy and DSC. The values of their density, surface tension were measured over the temperature range (308.15 to 343.15 +- 0.05) K, and the refractive index was measured within the temperature range (293.15 to 328.15 +- 0.05) K. Since the AAILs can form strong hydrogen bonds with water, a small amount of water is difficult to remove from the AAILs by common methods. In order to eliminate the effect of water as an impurity existed in AAIL sample, the standard addition method (SAM) was applied to these measurements. In terms of a semi-empirical method, the following physico-chemical properties were predicted: molecular volume, Vm, standard molar entropy, S0, parachor, P, surface tension, c, thermal expansion coefficients, a, molar refraction, RM, and refractive index, nD, of the homologue of [Cnmim][Glu] (n = 2,3, 4).
Compounds
# Formula Name
1 C14H25N3O4 1-pentyl-3-methylimidazolium DL-glutamate
2 C15H27N3O4 1-hexyl-3-methylimidazolium DL-glutamate
3 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
  • Buoyancy - hydrostatic balance
  • 8
  • POMD
  • 1
  • Surface tension liquid-gas, N/m ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Air at 1 atmosphere
  • Maximal bubble pressure
  • 8
  • POMD
  • 1
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 8
  • POMD
  • 1
  • Triple point temperature, K ; Glass
  • Glass
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Buoyancy - hydrostatic balance
  • 8
  • POMD
  • 2
  • Surface tension liquid-gas, N/m ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Air at 1 atmosphere
  • Maximal bubble pressure
  • 8
  • POMD
  • 2
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 8
  • POMD
  • 2
  • Triple point temperature, K ; Glass
  • Glass
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 1
  • 3
  • Mass density, kg/m3 ; Liquid
  • Mass fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Buoyancy - hydrostatic balance
  • 40
  • POMD
  • 1
  • 3
  • Surface tension liquid-gas, N/m ; Liquid
  • Mass fraction - 3; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Air at 1 atmosphere
  • Maximal bubble pressure
  • 40
  • POMD
  • 1
  • 3
  • Refractive index (Na D-line) ; Liquid
  • Mass fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 40
  • POMD
  • 2
  • 3
  • Mass density, kg/m3 ; Liquid
  • Mass fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Buoyancy - hydrostatic balance
  • 40
  • POMD
  • 2
  • 3
  • Surface tension liquid-gas, N/m ; Liquid
  • Mass fraction - 3; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Air at 1 atmosphere
  • Maximal bubble pressure
  • 40
  • POMD
  • 2
  • 3
  • Refractive index (Na D-line) ; Liquid
  • Mass fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 40