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

Measurement and Correlation of Solubility of Marbofloxacin in 12 Pure Solvents from 283.15 to 328.15 K

Wu, Zhiying, Li, Weiling, Yu, Ping, Fan, Xiaoyu, Sun, Hua, Zhao, Hua, Zhang, Yue
J. Chem. Eng. Data 2019, 64, 12, 5275-5281
ABSTRACT
The solubility of marbofloxacin in 12 pure solvents (methanol, ethanol, isopropanol, n-propanol, n-butanol, tert-amyl alcohol, acetonitrile, ethyl acetate, acetone, toluene, tetrahydrofuran, and 1,4-dioxane) at T = 283.15 to 328.15 K and P = 101.3 kPa was measured by a dynamic laser monitoring method. Results of these experiments demonstrate that the solubility of marbofloxacin in those 12 pure solvents increased with the increase of temperature. The experimental results showed that the solubility of marbofloxacin in the pure solvents decreased in the order of tetrahydrofuran greater than acetone greater than ethyl acetate greater than methanol acetonitrile (before 305.30 K) or greater than methanol acetonitrile greater than ethyl acetate (behind 305.30 K) greater than 1,4-dioxane greater than n-butanol greater than n-propanol greater than ethanol greater than tert-amyl alcohol greater than isopropanol greater than toluene. The Apelblat model, h model, and nonrandom two-liquid (NRTL) model were used to correlate with the experimental solubility data. Compared with the h model and NRTL model, the Apelblat model has a better correlation with the experimental values. The experimental solubility data and the correlation model in this study can be helpful for the related scientific research and scale-up production.
Compounds
# Formula Name
1 C17H19FN4O4 marbofloxacin
2 CH4O methanol
3 C2H6O ethanol
4 C2H3N acetonitrile
5 C3H8O propan-2-ol
6 C3H8O propan-1-ol
7 C4H10O butan-1-ol
8 C4H8O2 ethyl acetate
9 C5H12O 2-methylbutan-2-ol
10 C3H6O acetone
11 C7H8 toluene
12 C4H8O tetrahydrofuran
13 C4H8O2 1,4-dioxane
14 ClK potassium chloride
15 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
  • 1
  • Triple point temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • 2
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration method
  • 9
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration method
  • 9
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration method
  • 9
  • POMD
  • 1
  • 5
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration method
  • 9
  • POMD
  • 1
  • 6
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration method
  • 9
  • POMD
  • 1
  • 7
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration method
  • 9
  • POMD
  • 1
  • 8
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration method
  • 9
  • POMD
  • 1
  • 9
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration method
  • 9
  • POMD
  • 1
  • 10
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration method
  • 9
  • POMD
  • 1
  • 11
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration method
  • 9
  • POMD
  • 1
  • 12
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration method
  • 9
  • POMD
  • 1
  • 13
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration method
  • 9
  • POMD
  • 14
  • 15
  • Mole fraction - 14 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 14
  • Titration method
  • 6