Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Determination and correlation of solubilities of 1,2-bis(2-oxo-5,5-dimethyl-1,3,2-dioxyphosphacyclohexyl-2-imino) ethane in selected solvents

Qi, C.-M.[Chun-Mei], Wang, L.-S.[Li-Sheng], Du, J.-C.[Jun-Chao], Yu, G.-M.[Guo-Min], Sun, G.-Q.[Gui-Qin]
Fluid Phase Equilib. 2013, 360, 343-350
ABSTRACT
1,2-Bis(2-oxo-5,5-dimethyl-1,3,2-dioxyphosphacyclohexyl-2-imino) ethane (BPEA) was prepared, and characterized by elemental analysis (EA), mass spectra (MS), infrared spectroscopy (IR) and nuclear magnetic resonance (NMR). The melting point and the enthalpy of fusion of BPEA were performed on differential scanning calorimetry (DSC), and the thermal stability of BPEA was tested by thermogravimetric analysis (TGA). The solubility of BPEA in selected solvents was measured by a static analytical method. The experimental data were correlated with different thermodynamic models, such as the empirical equation and non-random two liquid (NRTL), Wilson, Scatchard Hildebrand, and universal quasi chemical (UNIQUAC) equations. The calculated results showed good agreement with the experimental data in the temperature range studied.
Compounds
# Formula Name
1 C12H26N2O6P2 1,2-bis(2-oxo-5,5-dimethyl-1,3,2-dioxyphosphacyclohexyl-2-imino) ethane
2 CH4O methanol
3 C4H8O tetrahydrofuran
4 C3H8O propan-2-ol
5 C2H4Cl2 1,2-dichloroethane
6 C4H8O butanone
7 C4H10O diethyl ether
8 C2H3N acetonitrile
9 C3H6O2 ethyl methanoate
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
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 7
  • POMD
  • 3
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 7
  • POMD
  • 4
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 7
  • POMD
  • 5
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 7
  • POMD
  • 6
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 7
  • POMD
  • 7
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 7
  • POMD
  • 8
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 7
  • POMD
  • 9
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 7