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

Solubility of 3,7,9,11-Tetraoxo-2,4,6,8,10-pentaaza[3.3.3] Propellane (TOPAP) in Different Pure Solvents at Temperatures between 273.15 and 318.15 K

Yang, D.[Deli], Fu, L.[Lei], Shi, D.[Daxin], Li, J.[Jiarong], Zhang, Q.[Qi]
J. Chem. Eng. Data 2016, 61, 9, 3277-3285
ABSTRACT
The solubility of 3,7,9,11-tetraoxo-2,4,6,8,10-pentaaza[3.3.3]propellane (TOPAP) was measured in pure H2O and 11 other organic solvents, including methanol, acetonitrile, acetone, ethyl acetate, ethanol, tetrahydrofuran, n-propanol, i-propanol, dioxane, ethylene glycol, and toluene in the temperature range from 273.15 to 318.15 K at an interval of 5 K by the equilibrium method with ultraviolet detection. For all reagents selected, the results showed that the solubility data of TOPAP increased with increasing temperature. All of the obtained experimental results in all mentioned solvents were correlated with temperature by using the ideal solution model, Apelblat model, Yaws model, h equation, and NRTL model. The ideal solution model, Apelblat model, Yaws model, and h equation are more suitable for the correlations of solubility of TOPAP, and they have a smaller maximum relative average deviation.
Compounds
# Formula Name
1 C6H5N5O4 (3as,6as)-1H,4H-3a,6a-(epiminomethanoimino)pyrrolo[3,4-d]imidazole-2,4,6,8(3H,5H)-tetraone
2 H2O water
3 CH4O methanol
4 C2H3N acetonitrile
5 C3H6O acetone
6 C4H8O2 ethyl acetate
7 C2H6O ethanol
8 C4H8O tetrahydrofuran
9 C3H8O propan-1-ol
10 C3H8O propan-2-ol
11 C4H8O2 1,4-dioxane
12 C2H6O2 1,2-ethanediol
13 C7H8 toluene
14 C6H6O2 1,4-benzenediol
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
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 1
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 2
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • UV Spectroscopy
  • 10
  • POMD
  • 3
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • UV Spectroscopy
  • 10
  • POMD
  • 4
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • UV Spectroscopy
  • 10
  • POMD
  • 5
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • UV Spectroscopy
  • 10
  • POMD
  • 6
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • UV Spectroscopy
  • 10
  • POMD
  • 7
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • UV Spectroscopy
  • 10
  • POMD
  • 8
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • UV Spectroscopy
  • 10
  • POMD
  • 9
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • UV Spectroscopy
  • 10
  • POMD
  • 10
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • UV Spectroscopy
  • 10
  • POMD
  • 11
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • UV Spectroscopy
  • 10
  • POMD
  • 12
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • UV Spectroscopy
  • 10
  • POMD
  • 13
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • UV Spectroscopy
  • 10
  • POMD
  • 14
  • 2
  • Mole fraction - 14 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 14
  • UV Spectroscopy
  • 6