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

The Thermodynamic and Excess Properties of Trialkyl-Substituted Imidazolium-Based Ionic Liquids with Thiocyanate and Its Binary Systems with Acetonitrile

Zhang, Qingguo, Xu, Tongtong, Zhang, Xinyuan, Yang, Huige, Zhang, Wenbo
J. Chem. Eng. Data 2018, 63, 5, 1408-1418
ABSTRACT
Two kinds of new ionic liquids (ILs) 1-propyl-2,3-dimethylimidazolium thiocyanate ([C3mmim][SCN]) and 1-butyl-2,3-dimethylimidazolium thiocyanate ([C4mmim][SCN]) were synthesized and characterized by various methods. Then the [C3mmim][SCN] and [C4mmim][SCN] were blended with acetonitrile (ACN) to prepare binary IL-based mixture systems over the whole concentration range (molar ratio of IL from 1 to 0). The densities, electrical conductivities, and dynamic viscosities of two pure ILs and two binary systems were determined from 288.15 K to 323.15 K. The measured values of the surface tension are used in the calculation of interstice model. The temperature dependence of the transport properties (dynamic viscosity and electrical conductivity) are described by the Vogel-Fulcher-Tamman (VFT) equation and Arrhenius equation, respectively. The volumetric properties like thermal expansion coefficient, molecular volume, standard molar entropy, and lattice energy of the ILs are estimated through the empiric/semiempirical methods. The excess molar volumes (VE) and dynamic viscosity deviations () of the mixtures are calculated. For a further research, Redlich-Kister polynomial equation is used to fit the excess molar volume and the deviation in dynamic viscosity data. The negative values of the entire composition range of excess properties clearly indicate the existence of molecular interactions between the studied components.
Compounds
# Formula Name
1 C9H15N3S 1,2-dimethyl-3-propylimidazolium thiocyanate
2 C10H17N3S 1-butyl-2,3-dimethylimidazolium thiocyanate
3 C2H3N acetonitrile
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
  • 8
  • POMD
  • 1
  • Electrical conductivity, S/m ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Alternating current cell with electrodes
  • 8
  • POMD
  • 1
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 8
  • POMD
  • 1
  • Surface tension liquid-gas, N/m ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Wilhelmy plate
  • 1
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 8
  • POMD
  • 2
  • Electrical conductivity, S/m ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Alternating current cell with electrodes
  • 8
  • POMD
  • 2
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 8
  • POMD
  • 2
  • Surface tension liquid-gas, N/m ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Wilhelmy plate
  • 1
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 8
  • POMD
  • 3
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 8
  • POMD
  • 1
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 88
  • POMD
  • 1
  • 3
  • Electrical conductivity, S/m ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Alternating current cell with electrodes
  • 80
  • POMD
  • 1
  • 3
  • Viscosity, Pa*s ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 88
  • POMD
  • 2
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 88
  • POMD
  • 2
  • 3
  • Electrical conductivity, S/m ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Alternating current cell with electrodes
  • 80
  • POMD
  • 2
  • 3
  • Viscosity, Pa*s ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 88