Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Solubility and thermodynamic functions of cefazolin acid in pure and mixed solvents at (278.15 308.15) K

Zhang, J.[Jiao], Ouyang, J.[Jinbo], Zhang, H.[Hongjiao], Huang, X.[Xin], Hao, H.[Hongxun], Wang, Y.[Yongli], Yin, Q.[Qiuxiang], Fang, W.[Wen]
Fluid Phase Equilib. 2015, 387, 95-102
ABSTRACT
Solvent screening is of great importance in the design and optimization of drug crystallization. In this paper, the solubility data of cefazolin acid in five pure solvents and one binary solvent mixtures (N, Ndimethylformamide + 2-propanol) were experimentally measured in temperature range from (278.15 308.15)K by using UV spectrometer method. The melting temperature of cefazolin acidwas estimated by three-level group contribution method. All the experimental solubility data were correlated by the modified Apelblat model and the lh equation. The experimental solubility data in binary solvent mixtures were also correlated by the nearly ideal binary solvent CNIBS/Redlich Kister model. In addition, based on the modified van t Hoff equation, the thermodynamic properties of cefazolin acid dissolution process were also calculated and discussed.
Compounds
# Formula Name
1 C14H14N8O4S3 cefazolin acid
2 C3H8O propan-2-ol
3 CH4O methanol
4 C3H6O acetone
5 C3H7NO dimethylformamide
6 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
  • 2
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • UV spectrophotometry
  • 7
  • POMD
  • 6
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • UV spectrophotometry
  • 7
  • POMD
  • 3
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • UV spectrophotometry
  • 7
  • POMD
  • 4
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • UV spectrophotometry
  • 7
  • POMD
  • 5
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • UV spectrophotometry
  • 7
  • POMD
  • 2
  • 5
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • UV spectrophotometry
  • 63