Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Solvation thermodynamics of anti-tuberculosis Isoniazid in aqueous and in aqueous electrolytic media

Malladi, Latha, Tangde, Vijay M., Dhondge, Sudhakar S., Sheikh, Nikhat
J. Chem. Thermodyn. 2018, 123, 128-139
ABSTRACT
Isoniazid forms one of the most potent antitubercular drugs effective against M. tuberculosis which functions in combination with pyrazinamide, rifampicin and ethambutol drugs. A drug is subjected to many complex processes from the time it is administered to the time the biologic response is affected. The physical properties give an idea of various types of interactions taking place between drug and water molecule. Keeping this in mind we have measured densities (rho) and speeds of sound (u) of Isoniazid (INH) in aqueous, aqueous sodium chloride and potassium chloride (0.06 mol*kg-1 and 0.1 mol*kg-1 in water) at three different temperatures i.e. T = (288.15, 298.15 and 308.15) K in the concentration range of (0.01 to 0.1) mol*kg-1. From these experimental data, apparent molar volume (Vphi) of solute, isentropic compressibility (kappas) of solution, apparent molar isentropic compressibility (kappaphi) of Isoniazid (INH) in water and in aqueous solutions of 0.06 and 0.1 mol*kg-1 sodium chloride and potassium chloride have been calculated. The limiting apparent molar expansivity (Ephi0) of solute and coefficient of thermal expansion (alpha-+-) of Isoniazid (INH) have also been calculated. Transfer parameters have been interpreted from the point of view of concentration dependence of solute solvent interactions. Infinite dilution values of Vphi and kappaphi have also obtained from extrapolation to zero molality and have been utilized in obtaining transfer volumes (deltatrVphi0) and transfer compressibility (deltatrkappaphi0) of Isoniazid (INH) from aqueous solutions of 0.06 mol*kg-1 and 0.1 mol*kg-1 sodium chloride and potassium chloride at different temperatures. Results are used to analyze the nature of solute-solvent, solute-solute interaction and structure making/breaking ability of solute in the aqueous solution.
Compounds
# Formula Name
1 C6H7N3O isonicotinic acid hydrazide
2 ClNa sodium chloride
3 ClK potassium chloride
4 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
  • 2
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Molality, mol/kg - 2; Liquid
  • Molality, mol/kg - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 144
  • POMD
  • 1
  • 2
  • 4
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Solvent: Molality, mol/kg - 2; Liquid
  • Molality, mol/kg - 1; Liquid
  • Pressure, kPa; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Linear variable-path acoustic interferometer
  • 144
  • POMD
  • 1
  • 3
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Molality, mol/kg - 3; Liquid
  • Molality, mol/kg - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 144
  • POMD
  • 1
  • 3
  • 4
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Solvent: Molality, mol/kg - 3; Liquid
  • Molality, mol/kg - 1; Liquid
  • Pressure, kPa; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Linear variable-path acoustic interferometer
  • 144
  • POMD
  • 1
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 48
  • POMD
  • 1
  • 4
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 1; Liquid
  • Pressure, kPa; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Linear variable-path acoustic interferometer
  • 48
  • POMD
  • 2
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 9
  • POMD
  • 2
  • 4
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 2; Liquid
  • Pressure, kPa; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Linear variable-path acoustic interferometer
  • 9
  • POMD
  • 3
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 9
  • POMD
  • 3
  • 4
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 3; Liquid
  • Pressure, kPa; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Linear variable-path acoustic interferometer
  • 9