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

Solubility Determination and Modeling for 4-Nitrobenzonitrile in Binary Solvent Mixtures of Ethyl Acetate Plus (Methanol, Ethanol, n-Propanol, and Isopropanol)

Wanxin, Li, Li, Mengyan, Wang, Nan, Fei, Zhenghao, Chen, Jiao, Zhao, Hongkun
J. Chem. Eng. Data 2018, 63, 10, 3933-3940
ABSTRACT
The 4-nitrobenzonitrile solubility in the four mixtures of (ethyl acetate + methanol), (ethyl acetate + ethanol), (ethyl acetate + n-propanol) and (ethyl acetate + isopropanol) over temperature range from (278.15 to 318.15) K was obtained experimentally. From the analysis results in the present paper, we found that the equilibrium 4-nitrobenzonitrile solubility in ethyl acetate (1) + (methanol, ethanol, n-propanol and isopropanol) (2) mixtures (0-100 % by w/w) increased with the amount of the ethyl acetate and the temperature increasing. The largest solubility of 4-nitrobenzonitrile was in neat ethyl acetate at T = 318.15 K (1.346x10-3 in methanol, 1.159x10-2 in ethanol, 1.082x10-2 in n-propanol, 0.8765x10-3 in isopropanol and 14.22x10-2 in ethyl acetate). The lowest solubility of 4-nitrobenzonitrile was observed in neat isopropanol (0.1624x10-2 at T = 278.15 K). The 4-nitrobenzonitrile solubility dependence upon temperature and mass fraction of ethyl acetate was mathematically described by using the Jouyban-Acree, van't Hoff-Jouyban-Acree and Apelblat-Jouyban-Acree models. The acquired values of RAD and RMSD were not greater than 2.13 % and 11.72x10-4, respectively.
Compounds
# Formula Name
1 C7H4N2O2 p-nitrobenzonitrile
2 CH4O methanol
3 C2H6O ethanol
4 C3H8O propan-1-ol
5 C3H8O propan-2-ol
6 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
  • 1
  • 6
  • 2
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 6; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 99
  • POMD
  • 1
  • 6
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 6; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 99
  • POMD
  • 1
  • 6
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 6; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 99
  • POMD
  • 1
  • 6
  • 5
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 6; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 99
  • POMD
  • 1
  • 2
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 6
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 5
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9