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

Measurement and Correlation of Solubility of Amorphous Cefmetazole Sodium in Pure Solvents and Binary Solvent Mixtures

Tao, X.[Xiaolong], Hou, B.[Baohong], Hu, X.[Xiaoxue], Zhou, F.[Fuli], Lu, H.[Haijiao], Wang, T.[Ting], Zhao, J.[Jiangfeng], Hao, H.[Hongxun]
J. Chem. Eng. Data 2017, 62, 1, 398-406
ABSTRACT
Development and design of crystallization process strongly depends on accurate solid-liquid equilibrium data. In this paper, the solubility data of amorphous cefmetazole sodium in pure solvents (ethanol, n-propanol, i-propanol, n-butanol,n-amyl alcohol, ethyl acetate, n-butyl acetate,n-hexane and cyclohexane) and binarysolvent mixtures (methanol and ethanol) weremeasured by usingUV spectroscopic method and gravimetrical method respectively at temperatures from (278.15 to 313.15) K.The results show that the solubility data of cefmetazole sodium increase with the increasing of temperature in all investigated solvents and decrease with the rising of the mole fraction of ethanol in the binary solvent mixtures.The Apelblat equation wassuccessfully used to correlate the experimental solubility data in pure solvents and the Apelblat equation, the CNIBS/R-K model and the Jouyban-Acree model were successfully applied to correlate the solubility data in methanol + ethanol systems. It was found that the correlated dataare in good agreement with the experimental data. Additionally, the molecular surface electrostatic potential (MSEP) correlated with the solubility data was alsocalculated and used to explain the difference of the solubility data of amorphous cefmetazole sodium in various solvents.
Compounds
# Formula Name
1 C15H16N7NaO5S3 sodium cefemetasole
2 CH4O methanol
3 C2H6O ethanol
4 C3H8O propan-1-ol
5 C3H8O propan-2-ol
6 C6H12O2 butyl ethanoate
7 C4H10O butan-1-ol
8 C4H8O2 ethyl acetate
9 C6H14 hexane
10 C6H12 cyclohexane
11 C5H12O pentan-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
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Glass - 1
  • UV Spectroscopy
  • 8
  • POMD
  • 1
  • 5
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Glass - 1
  • UV Spectroscopy
  • 8
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Glass - 1
  • UV Spectroscopy
  • 8
  • POMD
  • 1
  • 6
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Glass - 1
  • UV Spectroscopy
  • 8
  • POMD
  • 1
  • 11
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Glass - 1
  • UV Spectroscopy
  • 8
  • POMD
  • 1
  • 9
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Glass - 1
  • UV Spectroscopy
  • 8
  • POMD
  • 1
  • 8
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Glass - 1
  • UV Spectroscopy
  • 8
  • POMD
  • 1
  • 7
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Glass - 1
  • UV Spectroscopy
  • 8
  • POMD
  • 1
  • 10
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Glass - 1
  • UV Spectroscopy
  • 8
  • POMD
  • 1
  • 3
  • 2
  • Mole fraction - 1 ; Liquid
  • Solvent: Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Glass - 1
  • UV Spectroscopy
  • 72