Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Solubility and mixing thermodynamic properties of (2,4,6-trimethylbenzoyl) diphenylphosphine oxide in pure and binary solvents

Li, Danyang, Hao, Hongxun, Fang, Binbin, Wang, Na, Zhou, Yanan, Huang, Xin, Wang, Zhao
Fluid Phase Equilib. 2018, 461, 57-69
ABSTRACT
The solubility of (2,4,6-trimethylbenzoyl) diphenylphosphine oxide (Lucirin TPO) in ten pure solvents and two binary solvent mixtures was measured from 273.15 K to 308.15 K by gravimetric method. The solubility of Lucirin TPO increased non-linearly with rising temperature in all the studied solvents. Furthermore, the solubility in mixed solvents presented a maximum-solubility effect. The modified Apelblat model, lambda-h model, CNIBS/R-K model, NRTL model and Jouyban-Acree model were employed to correlate the experimental solubility data. The modified Apelblat model provided the best agreement in pure solvents, while the modified Apelblat model and CNIBS/R-K model gave better correlation results in binary solvent mixtures. Moreover, the thermodynamic properties of the mixing process, including the mixing Gibbs free energy, mixing enthalpy and mixing entropy were calculated from the solubility data using the NRTL model.
Compounds
# Formula Name
1 CH4O methanol
2 C2H6O ethanol
3 C3H6O acetone
4 C3H8O propan-1-ol
5 C3H8O propan-2-ol
6 C4H10O butan-1-ol
7 C4H10O 2-methyl-1-propanol
8 C2H3N acetonitrile
9 C3H6O2 methyl ethanoate
10 C4H8O2 ethyl acetate
11 C22H21O2P (2,4,6-trimethylbenzoyl) diphenylphosphine oxide
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
  • 11
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 11
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 11
  • 1
  • Mole fraction - 11 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 11
  • gravimetric
  • 8
  • POMD
  • 11
  • 2
  • Mole fraction - 11 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 11
  • gravimetric
  • 8
  • POMD
  • 11
  • 3
  • Mole fraction - 11 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 11
  • gravimetric
  • 8
  • POMD
  • 11
  • 4
  • Mole fraction - 11 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 11
  • gravimetric
  • 8
  • POMD
  • 11
  • 5
  • Mole fraction - 11 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 11
  • gravimetric
  • 8
  • POMD
  • 11
  • 6
  • Mole fraction - 11 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 11
  • gravimetric
  • 8
  • POMD
  • 11
  • 7
  • Mole fraction - 11 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 11
  • gravimetric
  • 8
  • POMD
  • 11
  • 8
  • Mole fraction - 11 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 11
  • gravimetric
  • 8
  • POMD
  • 11
  • 9
  • Mole fraction - 11 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 11
  • gravimetric
  • 8
  • POMD
  • 11
  • 10
  • Mole fraction - 11 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 11
  • gravimetric
  • 8
  • POMD
  • 11
  • 1
  • 10
  • Mole fraction - 11 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 11
  • OTHER:UFactor:12:sMethod:gravimetric
  • 77
  • POMD
  • 11
  • 2
  • 10
  • Mole fraction - 11 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 11
  • OTHER:UFactor:12:sMethod:gravimetric
  • 88