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

Measurement and Correlation of Solubility of Resorcinol Bis(cyclic 2,2-dimethyl-1,3-propanediol phosphate) in Selected Solvents from T = 293.15 to 333.15 K

Zhao, Dong-Fang, Wang, Li-Sheng, Sun, Jian, Chen, Chuan-Ming
J. Chem. Eng. Data 2017, 62, 12, 4327-4336
ABSTRACT
A phosphorus flame retardant named resorcinol bis(cyclic 2,2-dimethyl-1,3-propanediol phosphate) (RCDMPP) was synthesized and characterized by high-performance liquid chromatography (HPLC), elemental analysis (EA), fourier transform infrared spectroscopy (FTIR), mass spectra (MS) and nuclear magnetic resonance (NMR). Its thermal stability was evaluated via thermogravimetric analysis (TGA), and the fusion enthalpy and melting point of RCDMPP were detected by differential scanning calorimetry (DSC). The solubilities of RCDMPP in selected solvents at T = (293.15 to 333.15) K and atmospheric pressure were measured via a static-analytic method. The solubility data were correlated with modified Apelblat, Scatchard-Hildebrand, Buchowski-Ksiazczak (eh), nonrandom two liquid (NRTL), Wilson, and universal quasichemical (UNIQUAC) equations. The calculated results obtained from these models showed good agreement with the experimental data, and the NRTL, Wilson and UNIQUAC models give better correlation results compared with modified Apelblat and eh models. The solubility parameter of RCDMPP was calculated by use of the Scatchard-Hildebrand methodology.
Compounds
# Formula Name
1 C16H24O8P2 resorcinol bis(cyclic 2,2-dimethyl-1,3-propanediol phosphate)
2 C8H9NO2 N-acetyl-p-aminophenol
3 CHCl3 trichloromethane
4 C3H6O acetone
5 C7H8 toluene
6 CH4O methanol
7 C2H3N acetonitrile
8 C2H6O ethanol
9 C3H6O2 methyl ethanoate
10 C4H8O2 ethyl acetate
11 C2H4Cl2 1,2-dichloroethane
12 C3H8O propan-1-ol
13 C6H14 hexane
14 C3H6O2 ethyl methanoate
15 H2O water
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
  • Triple point temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 7
  • POMD
  • 1
  • 6
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 7
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 7
  • POMD
  • 1
  • 5
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 9
  • POMD
  • 1
  • 7
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 9
  • POMD
  • 1
  • 8
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 9
  • POMD
  • 1
  • 10
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 9
  • POMD
  • 1
  • 9
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 7
  • POMD
  • 1
  • 11
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 9
  • POMD
  • 1
  • 12
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 9
  • POMD
  • 1
  • 13
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 7
  • POMD
  • 1
  • 14
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 7
  • POMD
  • 2
  • 15
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • gravimetric
  • 9