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

Thermodynamic Study of Solubility for Imatinib Mesylate in Nine Monosolvents and Two Binary Solvent Mixtures from 278.15 to 318.15 K

Wang, Xinyi, Zhang, Dejiang, Liu, Shiyuan, Chen, Yifu, Jia, Lina, Wu, Songgu
J. Chem. Eng. Data 2018, 63, 11, 4114-4127
ABSTRACT
The solubility of imatinib mesylate in nine mono-solvents and two binary solvents was determined by the shaken flask method followed by UV composition analysis from 278.15 K to 318.15 K at atmospheric pressure. The solubility increases with the increase of temperature in all solvents we chose. Meanwhile, the dissolving capacity of imatinib mesylate ranks as methyl acetate less than 2-propanol less than acetonitrile less than isobutanol less than 1-butanol less than tetrahydrofuran less than 1-propanol less than ethanol less than methanol. The Apelblat model, h equation and NRTL model described the solubility data of imatinib mesylate in mono-solvents, simultaneously, the Apelblat model, CNIBS/R-K model and NRTL model were employed in binary solvents. The results show a satisfactory correlation with the experimental data. Additionally, mixing thermodynamic properties of imatinib mesylate were calculated based on the NRTL model, which reveals the mixing process is spontaneous and exothermic.
Compounds
# Formula Name
1 C30H35N7O4S imatinib mesilate
2 CH4O methanol
3 C2H6O ethanol
4 C3H8O propan-1-ol
5 C3H8O propan-2-ol
6 C4H10O butan-1-ol
7 C4H10O 2-methyl-1-propanol
8 C2H3N acetonitrile
9 C4H8O tetrahydrofuran
10 C3H6O2 methyl ethanoate
11 C15H15NO2 2-((2,3-dimethylphenyl)amino)benzoic acid
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
  • Chromatography
  • 9
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 5
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 6
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 7
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 8
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 9
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 10
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 2
  • 3
  • Mole fraction - 1 ; Liquid
  • Solvent: Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 99
  • POMD
  • 1
  • 2
  • 5
  • Mole fraction - 1 ; Liquid
  • Solvent: Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 99
  • POMD
  • 11
  • 3
  • Mole fraction - 11 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 11
  • Chromatography
  • 6