Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Influence of alkyl group on interactions between carboxylic acid and acetonitrile at different temperatures

Singh, S., Bahadur, I., Redhi, G. G., Ramjugernath, D., Ebenso, E. E.
J. Chem. Thermodyn. 2016, 98, 102-110
ABSTRACT
In this paper, the influence of alkyl group as well as temperature on interactions between carboxylic acid and acetonitrile were examined using thermodynamics technique. The carboxylic acid used in this study was acetic acid and propionic acid. To explore the utility of carboxylic acid and acetonitrile, we have carried out the interaction studies of carboxylic acid with acetonitrile using density, q, and sound velocity, u, measurements of acetic acid, propionic acid, acetonitrile, and their binary systems {acetic acid or propionic acid (x1) + acetonitrile (x2)} as function of temperature. The excess molar volumes, VE m, isentropic compressibility, js, and deviation in isentropic compressibility, Djs, were calculated from thermophysical properties, respectively which provide information about the intermolecular interactions as well as the influence alkyl group and temperatures that occurs between carboxylic acid and acetonitrile mixtures. The Redlich-Kister polynomial equation was used to fit the thermodynamics properties to test the experimental data. These results are useful for describing the intermolecular interactions; developing structure property correlation and molecular modeling that exist between the carboxylic acid and acetonitrile mixtures.
Compounds
# Formula Name
1 C2H4O2 acetic acid
2 C3H6O2 propanoic acid
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
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 60
  • POMD
  • 1
  • 3
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Sing-around technique in a fixed-path interferometer
  • 60
  • POMD
  • 3
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 60
  • POMD
  • 3
  • 2
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Sing-around technique in a fixed-path interferometer
  • 60