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

Solubilities of Three Phosphorus Flame Retardants in Selected Organic Solvents

Yu, G.-M.[Guo-Min], Wang, L.-S.[Li-Sheng], Sun, J.[Jian], Jiang, L.-K.[Lin-Kun]
J. Chem. Eng. Data 2015, 60, 6, 1803-1813
ABSTRACT
Using a static analytical method, the solubilities of phosphonic acid, P,P'-(1,4-piperazinediyl)bis-P,P,P',P'-tetraphenyl ester (PAPBE), N,N'-[1,3-phenylenebis(methylene)]bis(phosphoramidic acid)P,P,P',P'-tetraphenyl ester (PNBE), and 4-(hydroxymethyl)-1-oxido-2,6,7-trioxa-1-phosphabicyclo [2.2.2] octane (PEPA) were measured from 293.15 K to 343.15 K in four selected organic solvents. Several thermodynamic models were used to correlate the experimental solubility data, such as Scatchard Hildebrand, Wilson, nonrandom two-liquid (NRTL), and UNIQUAC. The calculated results showed that all the models reproduced the experimental data very well, and the UNIQUAC equation gives the best correlation. Using the group contribution methods, the solubility parameters of phosphorus flame retardants can be calculated, which were compared with the previous values calculated with the Scatchard Hildebrand model.
Compounds
# Formula Name
1 C28H28N2O6P2 tetraphenyl piperazine-1,4-diylbis(phosphonate)
2 C32H30N2O6P2 N,N'-[1,3-phenylene bis(methylene)] bis-(phosphoramidic acid) P,P,P',P'-tetraphenyl ester
3 C5H9O5P 4-(hydroxymethyl)-1-oxido-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane
4 C4H10O2 1-methoxy-2-propanol
5 C6H14O2 1-propoxy-2-propanol
6 C6H12O3 1-methoxy-2-propyl acetate
7 C7H16O3 dipropylene glycol monomethyl ether
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
  • 4
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric method
  • 11
  • POMD
  • 5
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric method
  • 11
  • POMD
  • 6
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric method
  • 11
  • POMD
  • 7
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric method
  • 11
  • POMD
  • 4
  • 2
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • gravimetric method
  • 11
  • POMD
  • 5
  • 2
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • gravimetric method
  • 11
  • POMD
  • 6
  • 2
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • gravimetric method
  • 11
  • POMD
  • 7
  • 2
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • gravimetric method
  • 11
  • POMD
  • 4
  • 3
  • Mole fraction - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • gravimetric method
  • 11
  • POMD
  • 5
  • 3
  • Mole fraction - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • gravimetric method
  • 11
  • POMD
  • 6
  • 3
  • Mole fraction - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • gravimetric method
  • 11
  • POMD
  • 3
  • 7
  • Mole fraction - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • gravimetric method
  • 11