Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Thermophysical properties of ammonium and hydroxylammonium protic ionic liquids

Chhotaray, P. K.[Pratap K.], Gardas, R. L.[Ramesh L.]
J. Chem. Thermodyn. 2014, 72, 117-124
ABSTRACT
In this work, five protic ionic liquids having propylammonium, 3-hydroxy propylammonium as cations and formate, acetate, trifluoroacetate as anions have been synthesized. Thermophysical properties such as density (q), viscosity (g) and sound velocity (u) have been measured at various temperatures ranging from (293.15 to 343.15) K at atmospheric pressure. The experimental density and viscosity were fitted with second order polynomial and Vogel Tamman Fulcher (VTF) equations, respectively. Also experimental densities were correlated with the estimated density proposed by Gardas and Coutinho model. The coefficient of thermal expansion (a) and isentropic compressibility (bs) values have been calculated from the experimental density and sound velocity data using empirical correlations. Lattice potential energy (UPOT) has been calculated to understand the strength of ionic interaction between the ions. Thermal decomposition temperature (Td) and glass transition temperature (Tg) along with crystallization and melting point were investigated using TGA and DSC analysis, respectively. The effect of alkyl chain length and electronegative fluorine atoms on anionic fragment as well as hydroxyl substituent on cationic side chain in the protic ionic liquids has been discussed for studied properties. The effect of DpKa over the studied properties has also been analyzed.
Compounds
# Formula Name
1 C4H11NO2 propylammonium formate
2 C5H13NO2 propylammonium acetate
3 C4H11NO3 3-hydroxypropylammonium formate
4 C5H13NO3 3-hydroxypropylammonium acetate
5 C5H10F3NO3 3-hydroxypropylammonium trifluoroacetate
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
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 1
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 11
  • POMD
  • 1
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 11
  • POMD
  • 1
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Sing-around technique in a fixed-path interferometer
  • 11
  • POMD
  • 2
  • 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
  • Vibrating tube method
  • 11
  • POMD
  • 2
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 11
  • POMD
  • 2
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Sing-around technique in a fixed-path interferometer
  • 11
  • POMD
  • 3
  • Triple point temperature, K ; Glass
  • Glass
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 11
  • POMD
  • 3
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 11
  • POMD
  • 3
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Sing-around technique in a fixed-path interferometer
  • 11
  • POMD
  • 4
  • Triple point temperature, K ; Glass
  • Glass
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 11
  • POMD
  • 4
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 11
  • POMD
  • 4
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Sing-around technique in a fixed-path interferometer
  • 11
  • POMD
  • 5
  • Triple point temperature, K ; Glass
  • Glass
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 5
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 11
  • POMD
  • 5
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 11
  • POMD
  • 5
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Sing-around technique in a fixed-path interferometer
  • 11