Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Solubility of 1, 3, 2-dioxaphosphorinane-5,5-dimethyl -2- (2,4,6-tribromophenoxy)-2-oxide in selected solvents

Sun, G.-Q.[Gui-Qin], Wang, L. -S.[Li-Sheng], Du, J.-C.[Jun-Chao], Qi, C.-M.[Chun-Mei]
Fluid Phase Equilib. 2013, 360, 97-105
ABSTRACT
A phosphorus-containing flame retardant, 5,5-dimethyl-1,3,2-Dioxaphosphorinane-2-(2,4,6- tribromophenoxy)-2-oxide(DPDMO), was synthesized successfully and characterized by elemental analysis (EA), mass spectra (MS), infrared spectroscopy (FT-IR) and nuclear magnetic resonance (1HNMR and 13C NMR). The melting point and the enthalpy of fusion of DPDMO were measured by differential scanning calorimeter (DSC), and the thermal stability of DPDMO was obtained by thermogravimetric analysis (TGA). The solubility of DPDMO in selected solvents could be achieved by a gravimetric method. The experimental data were correlated with some thermodynamic models, such as the empirical equation and the Scatchard-Hildebrand, Wilson, nonrandom two liquid (NRTL), universal quasi chemical (UNIQUAC), and Buchowski-Ksiazaczak (lambda-h) equation. The results show that the calculated values indicated good agreement with the experimental data.
Compounds
# Formula Name
1 C11H12Br3O4P 5,5-dimethyl-1,3,2-dioxaphosphorinane-2-(2,4,6- tribromophenoxy)-2-oxide
2 CH4O methanol
3 C3H6O acetone
4 C4H8O tetrahydrofuran
5 C2H3N acetonitrile
6 C2H6O ethanol
7 C7H8 toluene
8 C4H8O2 ethyl acetate
9 CH2Cl2 dichloromethane
10 CHCl3 trichloromethane
11 C3H6O2 methyl ethanoate
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
  • Gravimetric
  • 7
  • POMD
  • 3
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Gravimetric
  • 7
  • POMD
  • 4
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Gravimetric
  • 7
  • POMD
  • 5
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Gravimetric
  • 7
  • POMD
  • 6
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Gravimetric
  • 8
  • POMD
  • 7
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Gravimetric
  • 7
  • POMD
  • 8
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Gravimetric
  • 8
  • POMD
  • 9
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Gravimetric
  • 5
  • POMD
  • 10
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Gravimetric
  • 8
  • POMD
  • 11
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Gravimetric
  • 8