Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Physicochemical properties of an anticonvulsant drug sodium valproate in aqueous and in mixed aqueous solutions at different temperatures

Mondal, S.[Sudip], Dhondge, S. S.[Sudhakar S.], Paliwal, L. J.[Lalitmohan J.], Tangde, V. M.[Vijay M.], Jengathe, S. P.[Santosh P.]
J. Chem. Thermodyn. 2015, 90, 147-157
ABSTRACT
The study of fundamental thermodynamic properties of aqueous solutions is very important to derive the information about (solute + solvent) and (solute + solute) interactions. Sodium valproate is a very important drug used for treatment of epilepsy, anorexia nervosa, panic attack, anxiety disorder etc. In this communication we report apparent molar volume of solute, limiting apparent molar volume of solute, limiting apparent molar expansivity of solute, thermal expansion coefficient, double derivative of limiting apparent molar volume, Jones Dole equation viscosity A, B and D coefficients, temperature derivative of B coefficient and hydration number for aqueous solutions of sodium valproate and solutions of sodium valproate in aqueous solutions of sodium chloride and dextrose. The above parameters have been obtained from measured values of densities and absolute viscosities for aqueous binary mixtures of sodium valproate and for the ternary mixtures of sodium valproate in 0.06 mol kg 1 aqueous solutions of sodium chloride and in 0.06 mol kg 1 aqueous solutions of dextrose in the concentration range (0.01 to 0.1) mol kg 1 as a function of temperature at T/K = (288.15, 298.15 and 308.15) and at atmospheric pressure. The values of limiting apparent molar volume of transfer, and viscosity B-coefficient of transfer have also been calculated. The transition state theory was used to obtain the Gibbs free energy of activation of viscous flow per mole of solvent and per mole of solute. The related activation parameters have also been derived. Co-sphere overlap model has been used to understand the results in terms of molecular interactions (hydrophilic, hydrophobic and ionic interactions). The results have been interpreted in terms of complex drug water co-solute (NaCl and Dextrose) interactions.
Compounds
# Formula Name
1 C8H15NaO2 sodium valproate
2 C6H12O6 D-glucose
3 ClNa sodium 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
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 3
  • POMD
  • 4
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Capillary tube (Ostwald; Ubbelohde) method
  • 3
  • POMD
  • 1
  • 4
  • Mass density, kg/m3 ; Liquid
  • Molality, mol/kg - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 39
  • POMD
  • 1
  • 4
  • Viscosity, Pa*s ; Liquid
  • Molality, mol/kg - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Capillary tube (Ostwald; Ubbelohde) method
  • 39
  • POMD
  • 1
  • 3
  • 4
  • Mass density, kg/m3 ; Liquid
  • Molality, mol/kg - 1; Liquid
  • Temperature, K; Liquid
  • Solvent: Molality, mol/kg - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 39
  • POMD
  • 1
  • 3
  • 4
  • Viscosity, Pa*s ; Liquid
  • Molality, mol/kg - 1; Liquid
  • Temperature, K; Liquid
  • Solvent: Molality, mol/kg - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Capillary tube (Ostwald; Ubbelohde) method
  • 39
  • POMD
  • 2
  • 1
  • 4
  • Mass density, kg/m3 ; Liquid
  • Molality, mol/kg - 1; Liquid
  • Temperature, K; Liquid
  • Solvent: Molality, mol/kg - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 39
  • POMD
  • 2
  • 1
  • 4
  • Viscosity, Pa*s ; Liquid
  • Molality, mol/kg - 1; Liquid
  • Temperature, K; Liquid
  • Solvent: Molality, mol/kg - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Capillary tube (Ostwald; Ubbelohde) method
  • 39
  • POMD
  • 3
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 3
  • POMD
  • 3
  • 4
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Capillary tube (Ostwald; Ubbelohde) method
  • 3
  • POMD
  • 2
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 3
  • POMD
  • 2
  • 4
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Capillary tube (Ostwald; Ubbelohde) method
  • 3