Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Thermodynamic models for determination of the solubility of 4-(4-aminophenyl)-3-morpholinone in different pure solvents and (1,4-dioxane + ethyl acetate) binary mixtures with temperatures from (278.15 to 333.15) K

Yang, W.[Wenge], Fan, S.[Shimin], Guo, Q.[Qirun], Hao, J.[Jianfeng], Li, H.[Hongjie], Yang, S.[Shouhai], Zhao, W.[Wangdan], Zhang, J.[Jian], Hu, Y.[Yonghong]
J. Chem. Thermodyn. 2016, 97, 214-220
ABSTRACT
A gravimetric method was used to measure the solubility of the 4-(4-Aminophenyl)-3-morpholinone under atmospheric pressure in 1,4-dioxane, methanol, tetrahydrofuran, ethanol, ethyl acetate, n-propanol as well as in the (1,4-dioxane + ethyl acetate) binary mixtures from T = (278.15 to 333.15) K. The experiment results have proved that rising temperature leads to increased solubility of the 4-(4-aminophenyl)-3-morpholinone in all selected solvents. The (solid + liquid) equilibrium data in six pure solvents and binary mixtures were correlated with four equations, including the modified Apelblat equation, the Buchowski Ksiazaczak kh equation, CNIBS/R-K equation and the Jouyban-Acree equation. During the research, the computational values were in good agreement with the experimental results according to the calculations based on all selected equations, and the modified Apelblat equation stood out to be the higher suitable with the higher accuracy. The thermodynamic properties of the solution process, including the Gibbs energy, enthalpy, and entropy were calculated by the van t Hoff analysis. All values of %nH are more than 60.35% indicated that in each studied solvent the dissolution process of 4-(4-aminophenyl)-3-morpholinone is endothermic.
Compounds
# Formula Name
1 C10H12N2O2 4-(4-aminophenyl)-3-morpholinone
2 CH4O methanol
3 C2H6O ethanol
4 C4H8O2 1,4-dioxane
5 C4H8O2 ethyl acetate
6 C4H8O tetrahydrofuran
7 C3H8O propan-1-ol
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
  • 4
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric method
  • 12
  • POMD
  • 2
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric method
  • 12
  • POMD
  • 6
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric method
  • 12
  • POMD
  • 3
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric method
  • 12
  • POMD
  • 5
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric method
  • 12
  • POMD
  • 7
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric method
  • 12
  • POMD
  • 4
  • 5
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric method
  • 96