Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Thermostabilities and solubilities of flame retardant bisphenol S-bis (5,5-dimethyl-1,3-dioxaphosphorinanyl-2-oxy phosphate ester) as a function of temperature

Jiang, L.-K.[Lin-Kun], Wang, L.-S.[Li-Sheng], Yu, G.-M.[Guo-Min]
Fluid Phase Equilib. 2014, 373, 55-62
ABSTRACT
A phosphorus-containing flame retardant, bisphenol S-bis (5,5-dimethyl-1,3-dioxaphosphorinanyl-2-oxy phosphate ester) (BSDOPE), was synthesized and characterized by elemental analysis (EA), mass spectra (MS), infrared spectroscopy (FT-IR) and nuclear magnetic resonance (NMR). The thermal stability of BSDOPE was investigated by thermogravimetric analysis (TGA). The solubilities of flame retardant BSDOPE in selected solvents are measured. Several thermodynamic models, including the ideal, modified Apelblat, Wilson, NRTL, UNIQUAC, the combined Nearly Ideal Binary Solvent (NIBS)/Redlich-Kister, and Scatchard-Hildebrand models, were applied to correlate the experimental solubility data. The results show that the calculated values indicated good agreement with the experimental data.
Compounds
# Formula Name
1 C22H28O10P2S 5,5-dimethyl-1,3-dioxaphosphorinanyl-2-oxy phosphate ester
2 C2H3N acetonitrile
3 C3H6O acetone
4 CH4O methanol
5 C4H8O tetrahydrofuran
6 C4H8O2 ethyl acetate
7 CHCl3 trichloromethane
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
  • Gravimetric
  • 9
  • 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
  • 4
  • 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
  • 9
  • POMD
  • 7
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Gravimetric
  • 4
  • POMD
  • 4
  • 7
  • 1
  • Mole fraction - 1 ; Liquid
  • Solvent: Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 7
  • Gravimetric
  • 18