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

Determination and Correlation of the Solubility of Musk Ketone in Pure and Binary Solvents at 273.15-313.15 K

Fang, X.[Xin], Li, H.[Huanxin], Zou, Z.[Zongpeng], Xu, L.[Li]
J. Chem. Eng. Data 2019, 64, 8, 3556-3568
ABSTRACT
The solubility of musk ketone in four pure solvents (methanol, ethanol, n-butanol, and ethyl acetate) and three binary mixed solvents (methanol + ethanol, ethanol + ethyl acetate, and n-butanol + ethyl acetate) at different temperatures (273.15 313.15 K) was determined by the static equilibrium method. The results showed that the solubility of musk ketone in the above solvents increases with the increasing temperature. The musk ketone has different solubilities in four pure solvents under the same environmental conditions (ethyl acetate greater than n-butanol greater than ethanol greater than methanol). In the binary solvent of methanol + ethanol, the solubility of musk ketone was positively correlated with the mass fraction of ethanol. In the binary mixed solvents of ethanol + ethyl acetate and n-butanol + ethyl acetate, the solubility was positively correlated with the mass fraction of ethyl acetate. Seven thermodynamic equations (van t Hoff equation, modified Apelblat equation, h equation, nonrandom two-liquid model, Wilson model, Jouyban Acree model, and Sun model) were used to correlate the experimental solubility data. The deviation between the experimental values and the correlated values was calculated and analyzed. The results showed that these models can predict the experimental results very well. In addition, the Hansen solubility parameters of musk ketone and the solvents were calculated and discussed. The results showed that the non-hydrogen bond interaction has a great influence on the solubility of musk ketone.
Compounds
# Formula Name
1 C14H18N2O5 3',5'-dinitro-2',6'-dimethyl-4'-tert-butylacetophenone
2 CH4O methanol
3 C2H6O ethanol
4 C4H10O butan-1-ol
5 C4H8O2 ethyl acetate
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
  • 2
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 5
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 3
  • 2
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 63
  • POMD
  • 1
  • 5
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 63
  • POMD
  • 1
  • 5
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 63