Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Fatty acids methyl esters: Complementary measurements and comprehensive analysis of vaporization thermodynamics

Zaitsau, Dzmitry H., Pimerzin, Andrey A., Verevkin, Sergey P.
J. Chem. Thermodyn. 2019, 132, 322-340
ABSTRACT
Vapour pressures of methyl decanoate, methyl undecanoate, methyl tetradecanoate, methyl hexadecanoate and methyl octadecanoate were measured by using the static technique. Vapour pressures of methyl dodecanoate, methyl tridecanoate, methyl tetradecanoate, methyl heptadecanoate, and methyl octadecanoate were measured by using the transpiration method. In the present work, vapour pressures of methyl esters of the saturated fatty acids from methyl propanoate to methyl eicosanoate were collected from the literature. These data together with own complementary results were used for validation of methods for assessment of the difference deltalgCp,mo required for the correct adjustment of vaporization enthalpies to the reference temperature 298.15 K. The evaluated vaporization enthalpies for esters from methyl propanoate to methyl eicosanoate demonstrate impeccable linear chain-length dependence. The CH2 group contributions for different homologous series were derived and compared. Quantitative analysis of dispersion interactions in the long-chained esters have been performed.
Compounds
# Formula Name
1 C11H22O2 methyl decanoate
2 C12H24O2 methyl undecanoate
3 C13H26O2 methyl dodecanoate
4 C14H28O2 methyl tridecanoate
5 C15H30O2 methyl tetradecanoate
6 C17H34O2 methyl hexadecanoate
7 C18H36O2 methyl heptadecanoate
8 C19H38O2 methyl octadecanoate
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
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • CCELL13
  • 75
  • POMD
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • CCELL1
  • 67
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • CCELL13
  • 6
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • CCELL1
  • 10
  • POMD
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Transpiration method
  • 31
  • POMD
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Transpiration method
  • 24
  • POMD
  • 5
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • CCELL13
  • 40
  • POMD
  • 5
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Transpiration method
  • 26
  • POMD
  • 5
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • CCELL1
  • 28
  • POMD
  • 6
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • CCELL13
  • 69
  • POMD
  • 6
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • CCELL1
  • 22
  • POMD
  • 7
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Transpiration method
  • 29
  • POMD
  • 8
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • CCELL13
  • 58
  • POMD
  • 8
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Transpiration method
  • 25
  • POMD
  • 8
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • CCELL1
  • 7