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

Solubilities of 4-(Hydroxymethyl)-1-oxido-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane in Organic Solvents

Yu, G.-M.[Guo-Min], Wang, L. -S.[Li-Sheng], Du, C.-J.[Chao-Jun]
J. Chem. Eng. Data 2014, 59, 5, 1454-1460
ABSTRACT
A phosphorus flame retardant of 4-(hydroxymethyl)-1-oxido-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane (PEPA) was synthesized by pentaerythritol and phosphorus oxychloride at a certain condition. The structural features of PEPA were investigated with Fourier transform infrared spectroscopy and 1H NMR methods. The thermal behavior of PEPA was carried out with differential scanning calorimetry and thermogravimetric analysis instruments. A static analytic method was used to measure the solubilities of the PEPA in several organic solvents. The measurements were accurately acted in ethyl acetate, acetonitrile, isopropyl alcohol, ethanol, n-propyl alcohol, acetone, methanol, and chloroform at the temperature range from 292.75 K to 333.45 K. Using the Scatchard Hildebrand methodology, the activity coefficients of the solute have been calculated, and the partial molar excess enthalpies at infinite dilution were also predicted.
Compounds
# Formula Name
1 C5H9O5P 4-(hydroxymethyl)-1-oxido-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane
2 CH4O methanol
3 C3H6O acetone
4 C2H3N acetonitrile
5 C2H6O ethanol
6 CHCl3 trichloromethane
7 C4H8O2 ethyl acetate
8 C3H8O propan-2-ol
9 C3H8O propan-1-ol
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
  • 7
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Gravimetric
  • 9
  • POMD
  • 4
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Gravimetric
  • 9
  • POMD
  • 8
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Gravimetric
  • 9
  • POMD
  • 5
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Gravimetric
  • 9
  • POMD
  • 9
  • 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
  • 2
  • 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
  • 7