Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Solution thermodynamics of S-ibuprofen n-octyl-d-glucamine salt in ethanol + water cosolvent mixtures

Wang, S.[Shui], Zhang, P.[Ping], Song, Z.[Zhiqian], Qu, Y.[Yixin]
Fluid Phase Equilib. 2014, 372, 69-75
ABSTRACT
The solubility of S-ibuprofen n-octyl-d-glucamine salt (SIOGS) in ethanol + water cosolvent mixtures were determined from 293.15 to 323.15 K. The thermodynamics functions of solution and mixing of SIOGS, such as the Gibbs energy, enthalpy, and entropy were calculated from the solubility data using Gibbs and van't Hoff equations. The solubility reached maximum when the mole faction of ethanol was 0.6 to 0.8 at different temperatures and was very low in pure water at the whole range of the temperatures studied. This behavior showed that the cosolvent effect existed in this system. By enthalpy-entropy compensation analysis, a nonlinear plot between [delta]Hsoln and [delta]Gsoln was obtained, whose slope was negative when in the mole fraction of ethanol was from 0.00 to 0.35, positive from 0.35 up to 0.7 and negative when higher than 0.7.
Compounds
# Formula Name
1 C27H49NO7 S-ibuprofen n-octyl-d-glucamine salt
2 C2H6O ethanol
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
  • 1
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 2
  • 3
  • 1
  • Mole fraction - 1 ; Liquid
  • Solvent: Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Crystal - 1
  • Liquid
  • Crystal - 1
  • Phase equilibration
  • 77