Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Measurement and correlation of the solubilities of tetra(5,5-dimethyl-1,3-dioxaphosphorinanyl-2-oxy) neopentane in different pure solvents

Jiang, L.-K.[Lin-Kun], Wang, L.-S.[Li-Sheng], Du, C.-J.[Chao-Jun], Sun, G.-Q.[Gui-Qin], Qi, C.-M.[Chun-Mei]
Fluid Phase Equilib. 2014, 367, 117-124
ABSTRACT
Using a static analytic method, experimental solubility data were obtained for tetra(5,5-dimethyl-1,3-dioxaphosphorinanyl-2-oxy) neopentane (DOPNP) in acetonitrile, acetone, methanol, ethanol, ethyl acetate, methyl acetate and methylethylketone at temperatures ranging from 293 to 333 K. Several commonly used thermodynamic models, including the ideal, modified Apelblat, Wilson, UNIQUAC and NRTL models, were applied to correlate the experimental solubility data. The binary interaction parameters of the above models were found to have a linear dependency on temperature and the coefficients were regressed. It can be seen that NRTL model is more suitable in describing the solubility data of DOPNP, compared with the other models. By using the van t Hoff equation, the dissolution enthalpy, dissolution entropy, and Gibbs free energy change of DOPNP are predicted in different pure solvents.
Compounds
# Formula Name
1 C25H48O16P4 1,3,2-dioxaphosphorinane,2,2'-[[2,2-bis[[(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphorinan-2-yl)oxy]methyl]-1,3-propanediyl]bis(oxy)]bis[5,5-dimethyl-,2,2'-dioxide
2 C2H3N acetonitrile
3 C3H6O acetone
4 CH4O methanol
5 C2H6O ethanol
6 C4H8O2 ethyl acetate
7 C3H6O2 methyl ethanoate
8 C4H8O butanone
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; Crystal - 1
  • Liquid
  • Crystal - 1
  • mass of residual solid after drying
  • 9
  • POMD
  • 3
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Crystal - 1
  • Liquid
  • Crystal - 1
  • mass of residual solid after drying
  • 7
  • POMD
  • 4
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Crystal - 1
  • Liquid
  • Crystal - 1
  • mass of residual solid after drying
  • 7
  • POMD
  • 5
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Crystal - 1
  • Liquid
  • Crystal - 1
  • mass of residual solid after drying
  • 9
  • POMD
  • 6
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Crystal - 1
  • Liquid
  • Crystal - 1
  • mass of residual solid after drying
  • 9
  • POMD
  • 7
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Crystal - 1
  • Liquid
  • Crystal - 1
  • mass of residual solid after drying
  • 7
  • POMD
  • 8
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Crystal - 1
  • Liquid
  • Crystal - 1
  • mass of residual solid after drying
  • 9