Thermodynamics Research Center / ThermoML | Thermochimica Acta

Influence of alkyl group and temperature on thermophysical properties of carboxylic acid and their binary mixtures

Bahadur, I., Singh, S., Deenadayalu, N., Naidoo, P., Ramjugernath, D.
Thermochim. Acta 2014, 590, 151-9
ABSTRACT
In this work, volumetric, acoustic and refractive index methods have been used to study the interactions between carboxylic acids mixtures as a function of temperature and concentration. The density (n), sound velocity (u), refractive index (n) of butanoic acid, pentanoic acid and heptanoic acid and their binary systems (butanoic or heptanoic acid + pentanoic acid) have been measured at 293.15, 298.15, 303.15, 308.15 and 313.15 K and at p = 0.1 MPa. The Lorentz-Lorenz approximation and sound velocity mixing rules were used to test the accuracy of the experimental data. The derived properties such as excess molar volumes, isentropic compressibilities, es , excess isentropic compressibilities, and deviation in refractive indices. The Redlich-Kister polynomial equation was used to fit the excess/deviation properties. These results are useful for describing the intermolecular interactions that exist between the components in mixtures. This work also tests various sound velocity mixing rules to calculate the sound velocity of the binary mixture from pure component data, as well as examine the use of the Lorentz-Lorenz approximation to predict density from refractive index and vice versa.
Compounds
# Formula Name
1 C4H8O2 butanoic acid
2 C7H14O2 heptanoic acid
3 C5H10O2 pentanoic acid
4 C5H10O3 diethyl carbonate
5 C2H6O ethanol
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
  • 5
  • POMD
  • 1
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Sing-around technique in a fixed-path interferometer
  • 5
  • POMD
  • 1
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 5
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 5
  • POMD
  • 2
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Sing-around technique in a fixed-path interferometer
  • 5
  • POMD
  • 2
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 5
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 5
  • POMD
  • 3
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Sing-around technique in a fixed-path interferometer
  • 5
  • POMD
  • 3
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 5
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 4
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 4
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Sing-around technique in a fixed-path interferometer
  • 1
  • POMD
  • 5
  • Mass density, kg/m3 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 5
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 5
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Sing-around technique in a fixed-path interferometer
  • 1
  • POMD
  • 5
  • 4
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Vibrating tube method
  • 13
  • POMD
  • 5
  • 4
  • Refractive index (Na D-line) ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 13
  • POMD
  • 5
  • 4
  • Speed of sound, m/s ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Sing-around technique in a fixed-path interferometer
  • 13
  • 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
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 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
  • 65
  • POMD
  • 3
  • 2
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 65
  • 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
  • 65