Thermodynamics Research Center, ThermoML : Journal of Chemical and Engineering Data

Solubility Determination and Modeling of EGCG Peracetate in 12 Pure Solvents at Temperatures from 278.15 to 318.15 K

Liu, B.[Bingbing], Asadzadeh, B.[Behnaz], Yan, W.[Weidong]
J. Chem. Eng. Data 2019, 64, 12, 5218-5224
ABSTRACT
The solubility of EGCG peracetate in 12 pure solvents (methanol, ethanol, 1propanol, 1-butanol, 2-propanol, 2-butanol, 1-pentanol, 1-hexanol, 2-methoxyethanol, 2-ethoxyethanol, 2-propoxyethanol, and 2-butoxyethanol) was measured using the static method at temperature range 278.15-318.15 K under atmospheric pressure. The solubility of EGCG peracetate in the selected solvents increased with increasing temperature in 12 solvents, and the most notable change was found in methanol. The obtained solubility data were correlated with the Van t Hoff equation, modified Apelblat equation, eh equation and NRTL model. Furthermore, crystal forms of EGCG peracetate in 12 pure solvents were studied by scanning electron microscope and X-ray powder diffraction. The obtained solubility values would be helpful in the purification and crystallization process of EGCG peracetate.
Compounds
# Formula Name
1 C38H34O19 (-)-epigallocatechin gallate octaacetate
2 CH4O methanol
3 C2H6O ethanol
4 C3H8O propan-1-ol
5 C4H10O butan-1-ol
6 C3H8O propan-2-ol
7 C4H10O butan-2-ol
8 C5H12O pentan-1-ol
9 C6H14O hexan-1-ol
10 C3H8O2 2-methoxyethan-1-ol
11 C4H10O2 2-ethoxyethan-1-ol
12 C5H12O2 2-propoxyethanol
13 C6H14O2 2-butoxyethan-1-ol
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
  • Glass - 1
  • Chromatography
  • 5
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Glass - 1
  • Chromatography
  • 5
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Glass - 1
  • Chromatography
  • 5
  • POMD
  • 1
  • 5
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Glass - 1
  • Chromatography
  • 5
  • POMD
  • 1
  • 6
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Glass - 1
  • Chromatography
  • 5
  • POMD
  • 1
  • 7
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Glass - 1
  • Chromatography
  • 5
  • POMD
  • 1
  • 8
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Glass - 1
  • Chromatography
  • 5
  • POMD
  • 1
  • 9
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Glass - 1
  • Chromatography
  • 5
  • POMD
  • 1
  • 10
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Glass - 1
  • Chromatography
  • 5
  • POMD
  • 1
  • 11
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Glass - 1
  • Chromatography
  • 5
  • POMD
  • 1
  • 12
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Glass - 1
  • Chromatography
  • 5
  • POMD
  • 1
  • 13
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Glass - 1
  • Chromatography
  • 5