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

Solubility Measurement and Correlation for e-2,4,6,8,10,12-Hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane in Five Organic Solvents at Temperatures between 283.15 and 333.15 K and Different Chloralkane + Ethyl Acetate Binary Solvents at Temperatures between 283.15 and 323.15 K

Cui, C.[Chao], Ren, H.[Hui], Huang, Y.-f.[Yang-fei], Jiao, Q.-j.[Qing-jie]
J. Chem. Eng. Data 2017, 62, 4, 1204-1213
ABSTRACT
The solubility data of e-2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (e-HNIW) in five pure solvents (ethyl acetate, N,N-dimethylformamide, acetonitrile, cyclohexanone, N-methylpyrrolidone) at temperatures ranging from 283.15 to 333.15 K at atmospheric pressure were measured by the isothermal method; meanwhile, the solubility behavior of e-HNIW in four binary solvents (dichloromethane, chloroform, tetrachloromethane, and 1,2-dichloroethane mixed with various mole fractions of ethyl acetate, respectively) was experimentally studied by the equilibrium method at temperatures ranging from 283.15 to 323.15 K. The experimental data in pure solvents were correlated by the van t Hoff equation and modified Apelblat equation. It was found that both of them could obtain good correlation results according to relative average deviations, root-mean-square deviations, and correlation coefficients (R2). The solubilities of e-HNIW in binary solvents were correlated with the modified Apelblat equation, the combined nearly ideal binary solvent/Redlich Kister (CNIBS/R-K) equation, and the Jouyban Acree model. For the binary solvents studied, all of the models provide a satisfactory correlation.
Compounds
# Formula Name
1 C5H9NO N-methylpyrrolidone
2 C6H6N12O12 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane
3 C6H10O cyclohexanone
4 C3H7NO dimethylformamide
5 C2H3N acetonitrile
6 C4H8O2 ethyl acetate
7 CH2Cl2 dichloromethane
8 CHCl3 trichloromethane
9 CCl4 tetrachloromethane
10 C2H4Cl2 1,2-dichloroethane
11 C4H8N8O8 cyclotetramethylene tetranitramine
12 C3H6O acetone
13 H2O water
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
  • 2
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Titration method
  • 11
  • POMD
  • 3
  • 2
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Titration method
  • 11
  • POMD
  • 4
  • 2
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Titration method
  • 11
  • POMD
  • 5
  • 2
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Titration method
  • 11
  • POMD
  • 6
  • 2
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Titration method
  • 11
  • POMD
  • 7
  • 6
  • 2
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 7; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Titration method
  • 45
  • POMD
  • 8
  • 6
  • 2
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 8; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Titration method
  • 81
  • POMD
  • 9
  • 6
  • 2
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 9; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Titration method
  • 81
  • POMD
  • 10
  • 6
  • 2
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 10; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Titration method
  • 81
  • POMD
  • 1
  • 11
  • Mole fraction - 11 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration method
  • 6
  • POMD
  • 12
  • 11
  • 13
  • Mole fraction - 11 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 13; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 11
  • Titration method
  • 16
  • POMD
  • 12
  • 11
  • Mole fraction - 11 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 11
  • Titration method
  • 2