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

Solid-Liquid Phase Equilibrium for Ternary Systems of p-Nitroacetophenone plus m-Nitroacetophenone plus Methanol/Toluene/Ethyl Acetate

Zhu, Y.[Yanqing], Ding, G.[Guangxuan], Li, X.[Xinbao], Zhao, H.[Hongkun]
J. Chem. Eng. Data 2019, 64, 9, 4066-4076
ABSTRACT
The mutual solubility for ternary systems of p-nitroacetophenone (1) + m-nitroacetophenone (2) + methanol (3), p-nitroacetophenone (1) + m-nitroacetophenone (2) + toluene (3) and p-nitroacetophenone (1) + m-nitroacetophenone (2) + ethyl acetate (3) was investigated through the steady method at 283.15 K, 298.15 K and 313.15 K under local ambient pressure of 101.2 kPa. The isothermal phase diagrams of the three systems were constructed in terms of the obtained mutual solubility. At the fixed temperature, there were two neat solids formed, namely as neat p-nitroacetophenone and neat m-nitroacetophenone, which were recognized through the Schreinemakers' wet residue method. The crystallization regions of neat p-nitroacetophenone and neat m-nitroacetophenone rised with decreasing temperature. The mutual solubility was correlated through the Wilson and NRTL equations. The relative average deviations for p-nitroacetophenone + m-nitroacetophenone + methanol/toluene/ethyl acetate systems were, respectively, 4.44*10-2, 3.86*10-2 and 3.35*10-2 for NRTL equation; and 4.33*10-2, 2.51*10-2 and 2.29*10-2 for Wilson equation. The acquired solubility data and the ternary phase diagrams for the three systems were very significant for designing and optimizing the purification process of p-nitroacetophenone and m-nitroacetophenone mixtures.
Compounds
# Formula Name
1 C8H7NO3 1-(3-nitrophenyl)ethanone
2 C8H7NO3 1-(4-nitrophenyl)ethanone
3 CH4O methanol
4 C7H8 toluene
5 C4H8O2 ethyl acetate
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
  • 2
  • 1
  • 3
  • Mass fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 16
  • POMD
  • 2
  • 1
  • 3
  • Mass fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Chromatography
  • 14
  • POMD
  • 2
  • 1
  • 4
  • Mass fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 21
  • POMD
  • 2
  • 1
  • 4
  • Mass fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Chromatography
  • 18
  • POMD
  • 2
  • 1
  • 5
  • Mass fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 21
  • POMD
  • 2
  • 1
  • 5
  • Mass fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Chromatography
  • 18
  • POMD
  • 1
  • 3
  • Mass fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 3
  • POMD
  • 2
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mass fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Chromatography
  • 3
  • POMD
  • 1
  • 4
  • Mass fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 3
  • POMD
  • 2
  • 4
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mass fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Chromatography
  • 3
  • POMD
  • 1
  • 5
  • Mass fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 3
  • POMD
  • 2
  • 5
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mass fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Chromatography
  • 3