Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

A favourable solubility of isoniazid, an antitubercular antibiotic drug, in alternative solvents

Forte, A.[Andreia], Melo, C. I.[Catarina I.], Bogel-Lukasik, R.[Rafal], Bogel-Lukasik, E.[Ewa]
Fluid Phase Equilib. 2012, 318, 89-95
ABSTRACT
The sufficient solubility of isoniazid in alternative solvents obtained in this work can open new perspectives in pharmaceutical processing. Solid-liquid equilibrium (SLE) measurements have been made using a dynamic (synthetic) method. The melting point and the enthalpy of fusion of isoniazid were acquired using differential scanning calorimetry (DSC). The solubility of isoniazid in bis(trifluoromethylsulfonyl)amide ionic liquids was found to be significantly lower than in the studied trifluoromethanesulfonate ionic liquid. The best solvent amongst studied for this common antibiotic against tuberculosis was discovered. The solid-liquid phase equilibria were described using the six different correlation equations which revealed relatively good description with the acceptable standard deviation temperature range.
Compounds
# Formula Name
1 C6H7N3O isonicotinic acid hydrazide
2 C8H11F6N3O4S2 1-ethyl-3-methylimidazolium bis((trifluoromethyl)sulfonyl)imide
3 C10H15F6N3O4S2 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide
4 C12H19F6N3O4S2 1-hexyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]imide
5 C14H23F6N3O4S2 1-octyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]imide
6 C16H27F6N3O4S2 1-decyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide
7 C15H27F3N2O3S 1-decyl-3-methylimidazolium trifluoromethansulfate
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
  • 1
  • 2
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Visual
  • 12
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Visual
  • 14
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Visual
  • 14
  • POMD
  • 1
  • 5
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Visual
  • 12
  • POMD
  • 1
  • 6
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Visual
  • 12
  • POMD
  • 1
  • 7
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Visual
  • 16