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

Solubility of 3,7-Dinitro-1,3,5,7-tetraazabicyclo [3.3.1] Nonane in Ethanenitrile, Methanol, 1,1-Dichloroethane, Dimethyl Sulfoxide, Acetone, and Mixed Solvents

Xue, M.[Min], Wu, S.[Siyu], Liu, W.[Wenjin], Zhu, Q.[Qiao], Meng, Z.[Zihui], Lin, Z.[Zhihui]
J. Chem. Eng. Data 2015, 60, 6, 1683-1687
ABSTRACT
The solubility of 3,7-dinitro-1,3,5,7-tetraazabicyclo [3.3.1] nonane (DPT) was measured in ethanenitrile, methanol, 1,1-dichloroethane, dimethyl sulfoxide (DMSO), acetone, ethyl acetate, ethyl acetate and methanol mixture, and acetonitrile and water mixture from 288.15 K to 308.15 K. In this paper, the determination method of DPT was first established by high-performance liquid chromatography (HPLC) with optimized chromatographic conditions. The solubility of DPT in all solvents was measured upon this chromatographic method. Experimental results show that the order of solubility can be represented as DMSO greater than acetonitrile greater than ethyl acetate greater than ethyl acetate/methanol (9:1, v/v) greater than ethyl acetate/methanol (7:3, v/v) greater than acetone greater than acetonitrile/water (9:1, v/v) greater than ethyl acetate/methanol (5:5, v/v) greater than acetonitrile/water (7:3, v/v) greater than 1,1 - dichloroethane greater than methanol. Moreover, its solubility increased with raising the temperature. The thermodynamic properties of DPT, such as solution enthalpy, have also been calculated.
Compounds
# Formula Name
1 C5H10N6O2 3,7-dinitroso-1,3,5,7-tetraazabicyclo[3.3.1]nonane
2 C2H3N acetonitrile
3 CH4O methanol
4 C2H6OS dimethyl sulfoxide
5 C3H6O acetone
6 H2O water
7 C4H8O2 ethyl acetate
8 C2H4Cl2 1,1-dichloroethane
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
  • 5
  • POMD
  • 3
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 5
  • POMD
  • 5
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 5
  • POMD
  • 4
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 5
  • POMD
  • 2
  • 1
  • 6
  • Mole fraction - 1 ; Liquid
  • Solvent: Volume ratio of component to other component of binary solvent - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10
  • POMD
  • 3
  • 1
  • 7
  • Mole fraction - 1 ; Liquid
  • Solvent: Volume ratio of component to other component of binary solvent - 7; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 15
  • POMD
  • 1
  • 7
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 5
  • POMD
  • 8
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 5