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

Thermodynamic Models for Determination of Solid-Liquid Equilibrium of the Buprofezin in Pure and Binary Organic Solvents

Xu, Q.[Qiang], Heng, B.[Bin], Hu, Y.[Yonghong], Liu, X.[Xinxin], Yang, W.[Wenge], Fan, Y.[Yuwen], Zhu, W.[Wenjun], Wu, C.[Chaoqiang], Gu, Y.[Yuanyun]
J. Chem. Eng. Data 2019, 64, 8, 3356-3366
ABSTRACT
Buprofezin is a kind of insecticide and an important chemical intermediate product. Data on solid-liquid equilibrium of buprofezin in different solvents is essential for the area of industrial applications. In this work, the solubility about buprofezin in methanol, ethanol, isopropanol, n-butanol, acetonitrile, n-hexane, ethyl acetate, N,N-dimethylformamide and two binary solvent mixtures (methanol + ethyl acetate and acetonitrile + ethyl acetate) was measured at the temperature range from 278.15 K to 328.15 K at atmospheric pressure by the gravimetric method. The experimental values shown that elevated temperatures increased the solubility of buprofezin in all selected Buchowskie-Ksiazaczak solvents. The model, Redich-Kister h modified Apelblat model, (CNIBS/R-K) the model, Jouyban-Acree model, ideal model were used to describe and predict the diversification trend of solubility.
Compounds
# Formula Name
1 C16H23N3OS buprofezin
2 CH4O methanol
3 C2H6O ethanol
4 C4H10O butan-1-ol
5 C3H8O propan-2-ol
6 C3H7NO dimethylformamide
7 C2H3N acetonitrile
8 C6H14 hexane
9 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
  • 2
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 11
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 11
  • POMD
  • 1
  • 5
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 11
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 11
  • POMD
  • 1
  • 7
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 11
  • POMD
  • 1
  • 8
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 11
  • POMD
  • 1
  • 9
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 11
  • POMD
  • 1
  • 6
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 11
  • POMD
  • 1
  • 9
  • 2
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 9; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 88
  • POMD
  • 1
  • 9
  • 7
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 9; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 88