Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Solid Liquid Phase Equilibrium of trans-Cinnamic Acid in Several Alcohols: Measurements and Thermodynamic Modeling

Li, J.[Juan], Zeng, Z.-X.[Zuo-Xiang], Sun, L.[Li], Xue, W.-L.[Wei-Lan], Wang, H.-H.[Hui-Hui]
J. Chem. Eng. Data 2016, 61, 3, 1192-1198
ABSTRACT
The solubilities of trans-cinnamic acid (t-CA) in methanol, ethanol, propanol, n-butanol, isopropyl alcohol, and isobutyl alcohol were measured by a synthetic method at temperatures ranging from (283.15 to 333.15) K. The modified Apelblat equation, the h equation, and activity coefficient models (nonrandom two-liquid, NRTL; universal quasichemical, UNIQUAC) were used to correlate these data. It was found that all of the models show good agreement with the experimental data, and the modified Apelblat equation and NRTL model give better correlation results. Furthermore, on the basis of the NRTL model and experimental data, the thermodynamic excess functions (GE, SE, HE) of t-CA + alcohols (methanol, ethanol, propanol, n-butanol, isopropyl alcohol, and isobutyl alcohol) system were determined.
Compounds
# Formula Name
1 C9H8O2 (E)-cinnamic acid
2 CH4O methanol
3 C2H6O ethanol
4 C3H8O propan-1-ol
5 C4H10O butan-1-ol
6 C3H8O propan-2-ol
7 C4H10O 2-methyl-1-propanol
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
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 1
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 2
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration method
  • 11
  • POMD
  • 3
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration method
  • 11
  • POMD
  • 4
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration method
  • 11
  • POMD
  • 5
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration method
  • 11
  • POMD
  • 6
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration method
  • 11
  • POMD
  • 7
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration method
  • 11