Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Critical temperatures and pressures, heat capacities, and thermal diffusivities of levulinic acid and four n-alkyl levulinates

Nikitin, Eugene D., Popov, Alexander P., Bogatishcheva, Nataliya S., Faizullin, Mars Z.
J. Chem. Thermodyn. 2019, 135, 233-240
ABSTRACT
The critical temperatures, pressures, heat capacities, and thermal diffusivities of levulinic acid and methyl, ethyl, propyl, and butyl levulinates have been measured. Experimental critical constants of levulinic acid and alkyl levulinates have been compared with those calculated using the group contribution methods of Wilson/Jasperson, Lydersen, Constantinou/Gani, and Marrero/Gani. The temperature dependencies of heat capacities and thermal diffusivities have been approximated by a third-order and a first-order polynomial, respectively. The coefficients of these polynomials have been given. Experimental heat capacities have been compared with those estimated by the methods of Kolska et al. and Dvorkin et al. Using the experimental data, the thermal conductivities of alkyl levulinates have been calculated. These data have been compared to those calculated by the methods of Latini et al. and Sastri.
Compounds
# Formula Name
1 C5H8O3 4-oxopentanoic acid
2 C6H10O3 methyl levulinate
3 C7H12O3 ethyl levulinate
4 C8H14O3 propyl levulinate
5 C9H16O3 butyl levulinate
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
  • Critical temperature, K ; Liquid
  • Liquid
  • Gas
  • Resistive pulse heating
  • 1
  • POMD
  • 1
  • Critical pressure, kPa ; Liquid
  • Liquid
  • Gas
  • Resistive pulse heating
  • 1
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Metastable liquid
  • Temperature, K; Metastable liquid
  • Pressure, kPa; Metastable liquid
  • Metastable liquid
  • Small sample (50 mg) DSC
  • 144
  • POMD
  • 2
  • Critical temperature, K ; Liquid
  • Liquid
  • Gas
  • Resistive pulse heating
  • 1
  • POMD
  • 2
  • Critical pressure, kPa ; Liquid
  • Liquid
  • Gas
  • Resistive pulse heating
  • 1
  • POMD
  • 2
  • Thermal diffusivity, m2/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Laser flash apparatus
  • 8
  • POMD
  • 2
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Small sample (50 mg) DSC
  • 143
  • POMD
  • 3
  • Critical temperature, K ; Liquid
  • Liquid
  • Gas
  • Resistive pulse heating
  • 1
  • POMD
  • 3
  • Critical pressure, kPa ; Liquid
  • Liquid
  • Gas
  • Resistive pulse heating
  • 1
  • POMD
  • 3
  • Thermal diffusivity, m2/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Laser flash apparatus
  • 8
  • POMD
  • 3
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Small sample (50 mg) DSC
  • 143
  • POMD
  • 4
  • Critical temperature, K ; Liquid
  • Liquid
  • Gas
  • Resistive pulse heating
  • 1
  • POMD
  • 4
  • Critical pressure, kPa ; Liquid
  • Liquid
  • Gas
  • Resistive pulse heating
  • 1
  • POMD
  • 4
  • Thermal diffusivity, m2/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Laser flash apparatus
  • 7
  • POMD
  • 4
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Small sample (50 mg) DSC
  • 144
  • POMD
  • 5
  • Critical temperature, K ; Liquid
  • Liquid
  • Gas
  • Resistive pulse heating
  • 1
  • POMD
  • 5
  • Critical pressure, kPa ; Liquid
  • Liquid
  • Gas
  • Resistive pulse heating
  • 1
  • POMD
  • 5
  • Thermal diffusivity, m2/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Laser flash apparatus
  • 8
  • POMD
  • 5
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Small sample (50 mg) DSC
  • 144