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

Solubility and Molecular Interactions of Trimetazidine Hydrochloride in 12 Monosolvents and Solvent Mixtures of Methanol + (Ethanol, N,N-Dimethylformamide or Ethyl Acetate)

Wang, Hairong, Cao, Yong, Feng, Shuai, Chen, Gaoquan, Farajtabar, Ali, Zhao, Hongkun, Li, Xinbao
J. Chem. Eng. Data 2018, 63, 10, 3704-3714
ABSTRACT
The solubility of trimetazidine hydrochloride in twelve neat solvents namely ethanol, methanol, isopropanol, n-propanol, acetone, toluene, 2-butanone, ethyl acetate, n-butanol, acetonitrile, N,N-dimethyl formamide (DMF) and 1,4-dioxane and binary liquid mixtures methanol + (ethanol, DMF or ethyl acetate) was measured using the isothermal method over the temperature range from 278.15 K to 323.15 K under local atmospheric pressure of 101.2 kPa. The observed mole fraction solubility was largest in methanol and smallest in toluene. The experimental data in monosolvents was correlated through Apelblat equation; while in mixed solvents, by the van't Hoff-Jouyban-Acree model, Jouyban-Acree model and Apelblat-Jouyban-Acree model. Consequently, for the selected monosolvents, the largest relative average and root-mean-square deviations were 0.79 % and 0.227x10-4, respectively; and for the binary solvent mixtures, 3.00 % and 2.22x10-4. Solvent-solvent and solute-solvent interactions were analyzed in the twelve net solvents with linear solvation energy relationship analysis. The solubility in monosolvents depends significantly upon the Hildebrand parameter and nonspecific dipolarity/polarizability interactions. The values of log x12 deviated from the mean values of log x12 in the monosolvents. Results were interpreted based on different modes of the solvation interactions.
Compounds
# Formula Name
1 C14H24Cl2N2O3 trimetazidine hydrochloride (1:2)
2 CH4O methanol
3 C2H6O ethanol
4 C3H8O propan-1-ol
5 C3H8O propan-2-ol
6 C4H10O butan-1-ol
7 C3H6O acetone
8 C4H8O butanone
9 C2H3N acetonitrile
10 C4H8O2 ethyl acetate
11 C7H8 toluene
12 C4H8O2 1,4-dioxane
13 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 - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10
  • POMD
  • 1
  • 10
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10
  • POMD
  • 1
  • 13
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10
  • POMD
  • 1
  • 5
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10
  • POMD
  • 1
  • 7
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10
  • POMD
  • 1
  • 8
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10
  • POMD
  • 1
  • 9
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10
  • POMD
  • 1
  • 6
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10
  • POMD
  • 1
  • 11
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10
  • POMD
  • 1
  • 12
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 8
  • POMD
  • 1
  • 2
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 110
  • POMD
  • 1
  • 2
  • 13
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 110
  • POMD
  • 1
  • 2
  • 10
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 110