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

Equilibrium Solubility of Biapenem in Different Neat and Binary Solvents: Experimental Determination and Model Correlation

Xu, Renjie, Huang, Chunjuan, Xu, Jie
J. Chem. Eng. Data 2019, 64, 4, 1454-1460
ABSTRACT
The equilibrium solubility is the basis of purification and further theoretical studies of biapenem. In this work, The solubility of biapenem in ten pure solvents (methanol, ethanol n-propanol, isopropanol, acetone, N,N-dimethylformamide (DMF), acetonitrile, dimethyl sulfoxide (DMSO), N-methyl pyrrolidone (NMP) and ethyl acetate) and solvent mixtures (ethyl acetate + methanol) was measured by using a static equilibrium method at temperatures from 283.15 K to 323.15 K, at p = 101.2 kPa. To sum up, the solubility was highest in NMP and lowest in acetone. the solubility from high to low is: NMP (0.9663x10-4, 298.15K) greater than DMSO (0.8655x10-4, 298.15K) greater than DMF (0.7796x10-4, 298.15K) greater than ethyl acetate (0.7161x10-4, 298.15K) greater than acetonitrile (0.5169x10-4, 298.15K) greater than methanol (0.3068x10-4, 298.15K) greater than ethanol (0.2455x10-4, 298.15K) greater than n-propanol (0.1966x10-4, 298.15K) greater than isopropanol (0.1205x10-4, 298.15K) greater than acetone(0.04576x10-4, 298.15K). The experiment values in monosolvents were associate with modified Apelblat equation; The experiment
Compounds
# Formula Name
1 C15H18N4O4S biapenem
2 CH4O methanol
3 C3H8O propan-1-ol
4 C3H8O propan-2-ol
5 C3H6O acetone
6 C4H8O2 ethyl acetate
7 C2H3N acetonitrile
8 C2H6O ethanol
9 C3H7NO dimethylformamide
10 C5H9NO N-methylpyrrolidone
11 C2H6OS dimethyl sulfoxide
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
  • Chromatography
  • 9
  • POMD
  • 1
  • 7
  • 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
  • 8
  • 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
  • 6
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 6
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 11
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 7
  • POMD
  • 1
  • 9
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 10
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 6
  • 2
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 6; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 99