Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Investigation of Volumetric and Acoustic Properties of Procainamide Hydrochloride in Aqueous Binary and (Water + Amino Acid) Ternary Mixtures at Different Temperatures

Bhattacharya, Doyel M., Kawadkar, Dinesh V., Pandhurnekar, Chandrashekhar P., Wankhade, Atul V., Pratap, Umesh R., Zodape, Sangesh P.
J. Chem. Eng. Data 2017, 62, 12, 4083-4092
ABSTRACT
For the effective drug design and development, an integrated process utilizing all available information from structural, thermodynamic and biological studies play a very important role. To understand the energetic basis of molecular interactions utilizing various thermodynamic methods, volumetric and acoustic studies is vital early in the development process of any drug towards an optimal energetic interaction profile while retaining good pharmacological assay. In the present paper, we are reporting the data of densities (n ) and speeds of sound ( u ) of an Antiarrhythmic agent namely procainamide hydrochloride in aqueous binary and aqueous solution of amino acids i. e. L-alanine and L-valine at T = (298.15, 308.15 and 318.15) K. Different thermodynamic parameters such as apparent molar volume (Vo ) of solute, isentropic compressibility ( ) s e of the solution, apparent molar isentropic compressibility (e ) o of procainamide hydrochloride in water and aqueous solutions of L-alanine and L-valine have been computed using the density and speed of sound data at different temperatures. The limiting apparent molar volume ( 0 Vo ) of solute, limiting apparent molar compressibility (eo0 )of solute in binary and ternary aqueous solution have been obtained by extrapolating the plots. The results have been interpreted in the light of the competing solute-solute and solute-solvent interactions.
Compounds
# Formula Name
1 C13H22ClN3O procainamide hydrochloride
2 C3H7NO2 (S)-2-aminopropanoic acid
3 C5H11NO2 L-valine
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
  • Vibrating tube method
  • 3
  • POMD
  • 4
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Single path-length method
  • 3
  • POMD
  • 1
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 45
  • POMD
  • 1
  • 4
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Single path-length method
  • 45
  • POMD
  • 1
  • 4
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 1; Liquid
  • Solvent: Molality, mol/kg - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 60
  • POMD
  • 1
  • 4
  • 2
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 1; Liquid
  • Solvent: Molality, mol/kg - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Single path-length method
  • 60
  • POMD
  • 1
  • 4
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 1; Liquid
  • Solvent: Molality, mol/kg - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 60
  • POMD
  • 1
  • 4
  • 3
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 1; Liquid
  • Solvent: Molality, mol/kg - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Single path-length method
  • 60
  • POMD
  • 4
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 6
  • POMD
  • 4
  • 2
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Single path-length method
  • 6
  • POMD
  • 4
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 6
  • POMD
  • 4
  • 3
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Single path-length method
  • 6