Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Solubility measurement and modelling of 1,8-dinitronaphthalene in nine organic solvents from T = (273.15 to 308.15) K and mixing properties of solutions

Zhou, G.[Guoquan], Du, C.[Cunbin], Han, S.[Shuo], Meng, L.[Long], Wang, J.[Jian], Li, R.[Rongrong], Zhao, H.[Hongkun]
J. Chem. Thermodyn. 2015, 90, 259-269
ABSTRACT
The solubility of 1,8-dinitronaphthalene in acetonitrile, methanol, ethanol, trichloromethane, isopropanol, acetone, toluene, ethyl acetate and butyl alcohol were obtained experimentally at temperatures ranging from (273.15 to 308.15) K under 0.1 MPa by using a gravimetric method. The solubility of 1,8-dinitronaphthalene in those solvents increases with an increase in temperature. The solubility values decrease according to the following order: acetone greater than (acetonitrile, ethyl acetate) greater than trichloromethane greater than toluene greater than methanol greater than ethanol greater than isopropanol greater than butyl alcohol. Three models, the modified Apelblat equation, Wilson and NRTL were used to correlate the solubility of 1,8-dinitronaphthalene in the solvents studied. The calculated solubility by the modified Apelblat equation provides better agreement than those evaluated by the other two models. The regressed results via the three models are all acceptable for the solubility of 1,8-dinitronaphthalene in the selected solvents. Furthermore, the mixing Gibbs energy, mixing enthalpy, and mixing entropy for per 1 mol of mixture of 1,8-dinitronaphthalene and solvents were calculated based on the Wilson model. The dissolution process of 1,8-dinitronaphthalene in the selected solvents is spontaneous and exothermic.
Compounds
# Formula Name
1 C10H6N2O4 1,8-dinitronaphthalene
2 C2H3N acetonitrile
3 CH4O methanol
4 C2H6O ethanol
5 CHCl3 trichloromethane
6 C3H8O propan-2-ol
7 C3H6O acetone
8 C7H8 toluene
9 C4H8O2 ethyl acetate
10 C4H10O butan-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
  • 2
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 15
  • POMD
  • 3
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 15
  • POMD
  • 4
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 15
  • POMD
  • 5
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 15
  • POMD
  • 6
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 15
  • POMD
  • 7
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 15
  • POMD
  • 8
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 15
  • POMD
  • 9
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 15
  • POMD
  • 10
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 15