Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Thermophysical and spectroscopic study of pure N-methylcyclohexylammonium based ionic liquids

Losetty, V.[Venkatramana], Chennuri, B. K.[Bharath Kumar], Gardas, R. L.[Ramesh L.]
J. Chem. Thermodyn. 2015, 90, 251-258
ABSTRACT
In this work, four ammonium based ionic liquids were synthesized by neutralization process between N-methylcyclohexylamine (NMC) and acids such as pentanoic acid, hexanoic acid, heptanoic acid and octanoic acid. Synthesized ionic liquids were characterized by spectroscopic methods namely 1H NMR, 13C NMR and FT-IR. Further, thermophysical properties viz. density (q) and speed of sound (u) values have been measured at atmospheric pressure (0.1 MPa) as a function of temperature over the range from (293.15 to 343.15) K. Moreover, refractive index was measured at T = 303.15 K and in turn molar refraction (Rm) and free volume (fV) were calculated using the Lorentz Lorenz relation. The experimental density values fitted with linear equation and correlated with the expected density proposed by Gardas Coutinho model. Knowledge of the experimental density and speed of sound are useful to calculate thermodynamic properties such as thermal expansion coefficient (a) isentropic compressibility (bS) and free length theory (Lf). The strength of ionic interaction between the ions was estimated by calculating lattice potential energy (UPOT) and standard entropy (S ) as proposed by Glasser. Thermal decomposition temperatures (Td) were investigated using TG analysis. Finally, thermo physical properties of pure ILs were analyzed in terms of chemical structure of IL and its anionic part.
Compounds
# Formula Name
1 C12H25NO2 N-methylcyclohexylammonium pentanoate
2 C13H27NO2 N-methylcyclohexylammonium hexanoate
3 C14H29NO2 N-methylcyclohexylammonium heptanoate
4 C15H31NO2 N-methylcyclohexylammonium octanoate
5 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
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 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
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 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
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 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
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 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
  • 4
  • Mass density, kg/m3 ; Liquid
  • Mass fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Vibrating tube method
  • 5
  • POMD
  • 5
  • 4
  • Speed of sound, m/s ; Liquid
  • Mass fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Sing-around technique in a fixed-path interferometer
  • 5