Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

The effect of 1-hexyl-3-methylimidazolium bromide ionic liquid as a co-solvent on the aqueous solubility of lamotrigine at T = (293.2-313.2) K

Barzegar-Jalali, Mohammad, Jouyban, Abolghasem, Shekaari, Hemayat, Martinez, Fleming, Mirheydari, Seyyedeh Narjes
J. Chem. Thermodyn. 2019, 133, 261-271
ABSTRACT
The solubility of lamotrigine in the aqueous mixtures of 1-hexyl-3-methylimidazolium bromide [HMIm][Br] were determined up to 0.8 mass fraction of [HMIm][Br] at several temperatures T= (293.2 to 313.2) K. The lambda -h and van't Hoff models with temperature dependency and Jouyban-Acree-van't Hoff, e-NRTL, UNIQUAC and Wilson models with temperature and solvent composition dependency were used to correlate the experimental solubility data. The overall %ARD value using the van't Hoff model is lower than the lambda -h equation. Moreover, the obtained %ARDs show that the Jouyban-Acree-van't Hoff and UNIQUAC models have the best consistency with the experimental solubility data, and the order of %ARDs for these models are UNIQUAC less than Jouyban-Acree-van't Hoff less than e-NRTL less than Wilson. Moreover, the thermodynamic functions, apparent Gibbs energy, enthalpy and entropy of dissolution and mixing were calculated based on the van't Hoff equation. The results obtained from thermodynamic functions indicating the strong solute-co-solvent interactions between LTG and [HMIm][Br] and also suggest that enthalpy has the main contribution to the dissolution process of this drug in the aqueous ionic liquid mixtures.
Compounds
# Formula Name
1 C9H7Cl2N5 lamotrigine
2 C10H19BrN2 3-hexyl-1-methyl-1H-imidazolium bromide
3 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
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 2
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 2
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Single path-length method
  • 1
  • POMD
  • 1
  • 2
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • UV-Vis spectrophotometer
  • 45
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • UV-Vis spectrophotometer
  • 5