Thermodynamics Research Center / ThermoML | Thermochimica Acta

Partial molar volume, Jones Dole coefficient, and limiting molar isentropiccompressibility of sodium ibuprofen in water and its hydration number andhydration free energy

Kharat, S. J.[Sanjeevan J.]
Thermochim. Acta 2013, 566, 124-9
ABSTRACT
The article reports densities, viscosities, and ultrasonic velocities of solutions of sodium ibuprofen inwater at T = 298.15, 303.15, 308.15, and 313.15 K and at atmospheric pressure. The molality range hasbeen studied from 0.1048 to 0.4678 mol kg-1. Partial molar volume, Jones Dole coefficient, isentropiccompressibility at infinite dilution, and hydration number have been calculated from measured data.Due to the importance of calculation of hydration free energy of drugs in the research of pharmaceuticalsand agrochemical industries, the hydration free energy of sodium ibuprofen at 298.15 K has also beencomputed theoretically. Results have been discussed in terms of solute solvent interactions.
Compounds
# Formula Name
1 C13H17NaO2 sodium ibuprofen
2 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
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 32
  • POMD
  • 2
  • 1
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Sing-around technique in a fixed-path interferometer
  • 32
  • POMD
  • 2
  • 1
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Capillary tube (Ostwald; Ubbelohde) method
  • 28