Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Equilibrium study and diversified models of drug Norfloxacin in eight pure organic and binary solvents at T = (278.15 to 328.15) K

Yu, Y.[Yemin], Li, T.[Tao], Hu, Y.[Yonghong], Yang, W.[Wenge], Zhang, Y.[Yuhao], Deng, R.[Renlun], Jiang, M.[Min]
Fluid Phase Equilib. 2017, 435, 45-59
ABSTRACT
Research on relevant solid liquid equilibrium of drug Norfloxacin (NFLX) in different solvents is necessary for an elementary study of industrial implantation. In this work, the solid liquid equilibrium of NFLX in ethanol, 1-butanol, isopropanol, acetone, acetonitrile, ethyl acetate, N-hexane, N,N-dimethylformamide single pure solvent and in (N,N-dimethylformamide + ethyl acetate) binary solvent mixtures were probed under atmosphere pressure at desired temperatures from 278.15 K to 328.15 K. The Gibbs energy, enthalpy, and entropy of solution were obtained from these solubility data. The modified Apelblat model, the Buchowski Ksiazaczak eh model, Redich-Kister (CNIBS/R-K) model, Jouyban-Acree model, ideal model and the Van't Hoff analysis were applied to depict and forecast the diversification tendency of solubility. The satisfactory simulation results were obtained. Moreover, the thermodynamic functions for NFLX dissolution from calculation, using the van t Hoff and Gibbs equations, imply that in each studied solvent and in binary solvent mixtures, the process of NFLX dissolution is endothermic. Based on the above analysis, N,N-dimethylformamide is checked as the best solvent and ethyl acetate can be used as an effective anti-solvent in the crystallization process of NFLX.
Compounds
# Formula Name
1 C2H6O ethanol
2 C16H18FN3O3 norfloxacin
3 C4H10O butan-1-ol
4 C3H8O propan-2-ol
5 C3H6O acetone
6 C2H3N acetonitrile
7 C4H8O2 ethyl acetate
8 C6H14 hexane
9 C3H7NO dimethylformamide
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 - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Chromatography
  • 11
  • POMD
  • 3
  • 2
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Chromatography
  • 11
  • POMD
  • 4
  • 2
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Chromatography
  • 11
  • POMD
  • 5
  • 2
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Chromatography
  • 11
  • POMD
  • 6
  • 2
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Chromatography
  • 11
  • POMD
  • 7
  • 2
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Chromatography
  • 11
  • POMD
  • 8
  • 2
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Chromatography
  • 11
  • POMD
  • 9
  • 2
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Chromatography
  • 11
  • POMD
  • 9
  • 7
  • 2
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 7; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Chromatography
  • 88