Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Thermodynamic equilibrium of hydroxyacetic acid in pure and binary solvent systems

Huang, Q.[Qiaoyin], Xie, C.[Chuang], Li, Y.[Yang], Su, N.[Nannan], Lou, Y.[Yajing], Hu, X.[Xiaoxue], Wang, Y.[Yongli], Bao, Y.[Ying], Hou, B.[Baohong]
J. Chem. Thermodyn. 2017, 108, 76-83
ABSTRACT
The solubility of hydroxyacetic acid in five pure organic solvents and two binary solvent mixtures were experimentally measured from 273.15 K to 313.15 K at atmospheric pressure (p = 0.1 MPa) by using a dynamic method. The order of solubility in pure organic solvents is ethanol greater than isopropanol greater than nbutanol greater than acetonitrile greater than ethyl acetate within the investigated temperature range, except for temperature lower than 278 K where the solubility of HA in ethyl acetate is slightly larger than that in acetonitrile. Furthermore, the solubility data in pure solvents were correlated with the modified Apelblat model, NRTL model, and Wilson model and that in the binary solvents mixtures were fitted to the CNIBS/R-K model and Jouyban-Acree model. Finally, the mixing thermodynamic properties of hydroxyacetic acid in pure and binary solvent systems were calculated and discussed.
Compounds
# Formula Name
1 C2H4O3 2-hydroxyethanoic acid
2 C2H3N acetonitrile
3 C2H6O ethanol
4 C4H8O2 ethyl acetate
5 C4H10O butan-1-ol
6 C3H8O propan-2-ol
7 C3H6O acetone
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
  • 1
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration method
  • 9
  • POMD
  • 3
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration method
  • 9
  • POMD
  • 5
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration method
  • 9
  • POMD
  • 6
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration method
  • 9
  • POMD
  • 2
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration method
  • 9
  • POMD
  • 3
  • 1
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration method
  • 81
  • POMD
  • 7
  • 1
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 7; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration method
  • 63