Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Determination and correlation of Avermectin B1a solubility in different binary solvent mixtures at temperatures from (283.15 to 313.15) K

Shen, H.[Huan], Wu, S.[Songgu], Liu, Y.[Yumin], Li, K.[Kangli], Xu, S.[Shijie], Gong, J.[Junbo]
J. Chem. Thermodyn. 2017, 105, 253-266
ABSTRACT
The solubility of Avermectin B1a (AVM B1a) in the three binary solvent mixtures, (acetone + water), (acetone + n-hexane) and (isopropanol + n-hexane) was determined gravimetrically with the temperature ranging from 283.15 K to 313.15 K under atmospheric conditions. The experimental results indicate that the solubility of AVM B1a increased with increasing temperature at certain solvent composition, and decreased with increasing mole fraction of water and n-hexane. Besides, the modified Apelblat equation, CNIBS/R-K model and Jouyban-Acree model were employed to correlate the solubility results obtained. All the selected models provide satisfactory results. Furthermore, the mixing thermodynamic properties were calculated based on the NRTL equation, a binary activity coefficient model. We also calculated the thermodynamic properties of the dissolution process of AVM B1a. The calculated results indicate that the dissolution process of AVM B1a in the tested solvents is endothermic and spontaneous.
Compounds
# Formula Name
1 C48H72O14 Avermectin B1a
2 C3H6O acetone
3 C6H14 hexane
4 C3H8O propan-2-ol
5 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
  • 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
  • 2
  • 5
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Gravimetric analysis method
  • 42
  • POMD
  • 2
  • 3
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Gravimetric analysis method
  • 63
  • POMD
  • 4
  • 3
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Gravimetric analysis method
  • 63
  • POMD
  • 2
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Gravimetric analysis method
  • 7
  • POMD
  • 4
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Gravimetric analysis method
  • 7
  • POMD
  • 4
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 7