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

Solid Liquid Phase Equilibria of N,N'-[1,3-Phenylenebis(methylene)]bis(phosphoramidic acid) P,P,P',P'-Tetraphenyl Ester in 10 Pure Solvents

Du, C.-J.[Chao-Jun], Wang, L.-S.[Li-Sheng], Yu, G.-M.[Guo-Min]
J. Chem. Eng. Data 2014, 59, 5, 1533-1539
ABSTRACT
N,N'-[1,3-Phenylenebis(methylene)]bis(phosphoramidic acid) P,P,P',P'-tetraphenyl ester (PNBE) was synthesized and characterized by elemental analysis, mass spectrometry, and IR and NMR spectroscopy. The melting point and the enthalpy of fusion of PNBE were obtained by differential scanning calorimetry, and the thermal stability of PNBE was measured by thermogravimetric analysis. The solubilities of PNBE in selected solvents were determined by a gravimetric method. The experimental data were correlated with the Wilson, nonrandom two-liquid (NRTL), and universal quasichemical (UNIQUAC) equations. The calculated results showed good agreement with the experimental data. Among them, the Wilson model gave the best description of the solubility data. The solubility parameter of PNBE was evaluated using the Scatchard Hildebrand model. The data presented in this work will be helpful for the choice of solvents for the solution-casting process and optimization of the dissolution or purification of PNBE.
Compounds
# Formula Name
1 C32H30N2O6P2 N,N'-[1,3-phenylene bis(methylene)] bis-(phosphoramidic acid) P,P,P',P'-tetraphenyl ester
2 CHCl3 trichloromethane
3 C4H8O2 ethyl acetate
4 C3H6O acetone
5 C2H6O ethanol
6 CH4O methanol
7 C4H8O tetrahydrofuran
8 CH2Cl2 dichloromethane
9 C6H6 benzene
10 C7H8 toluene
11 C2H3N acetonitrile
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
  • 6
  • 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
  • 8
  • POMD
  • 11
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Gravimetric
  • 11
  • POMD
  • 7
  • 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
  • 11
  • POMD
  • 2
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Gravimetric
  • 8
  • POMD
  • 5
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Gravimetric
  • 11
  • POMD
  • 9
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Gravimetric
  • 11
  • POMD
  • 10
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Gravimetric
  • 11
  • POMD
  • 8
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Gravimetric
  • 7