Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Temperature and concentration dependence towards physicochemical and FTIR spectral studies of glycine, L-alanine and L-valine in aqueous solutions of nortriptyline hydrochloride

Sharma, Suresh Kumar, Singh, Gurpreet, Kataria, Ramesh, Kumar, Harsh
J. Chem. Thermodyn. 2019, 130, 213-227
ABSTRACT
Apparent and partial molar properties for glycine, L-alanine and L-valine in aqueous solutions (0.025-0.075) mol*kg-1 of drug NTPH (nortriptyline hydrochloride) have been reported in the present study at intervals of 5 K from temperature 288.15 K to 308.15 K and at experimental pressure of p=0.1 MPa. Different parameters viz. transfer partial molar properties, hydration numbers (nH), partial molar expansibility (E00), isobaric thermal expansion coefficient (alpha) and Hepler's constant, calculated by using the experimental data of density (rho) and ultrasonic speeds (u) predict that the solute-solvent interactions are dominating in these ternary systems. The linear variation of V00 with the number of carbon atoms in the alkyl chain of amino acids has been utilized to calculate the contribution of the charged end groups NH3+,COO-, (CH2) group and other alkyl chains of the amino acids to V00. Pair and triplet interaction coefficients determined from deltaV00 and deltaK0,s0 values using McMillan-Mayer theory indicate the dominance of pairwise interactions in the studied ternary mixtures. The hydration number (nH) comes out to be positive suggesting strong dehydration effect of NTPH. FTIR spectra have been recorded for the mixtures of amino acids in aqueous solutions of NTPH. The decrease in wave number of N-H stretching band also suggests the structural changes in these systems.
Compounds
# Formula Name
1 C2H5NO2 2-aminoacetic acid
2 C3H7NO2 (S)-2-aminopropanoic acid
3 C5H11NO2 L-valine
4 C19H22ClN 3-(10,110dihydro-5H-dibenzo[1,d]cyclohepten-5-ylidene)-N-methyl-1-propanamine hydrochloride
5 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
  • 5
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Molality, mol/kg - 4; Liquid
  • Molality, mol/kg - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 105
  • POMD
  • 1
  • 5
  • 4
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Solvent: Molality, mol/kg - 4; Liquid
  • Molality, mol/kg - 1; Liquid
  • Pressure, kPa; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Single path-length method
  • 105
  • POMD
  • 2
  • 5
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Molality, mol/kg - 4; Liquid
  • Molality, mol/kg - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 105
  • POMD
  • 2
  • 5
  • 4
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Solvent: Molality, mol/kg - 4; Liquid
  • Molality, mol/kg - 2; Liquid
  • Pressure, kPa; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Single path-length method
  • 105
  • POMD
  • 3
  • 5
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Molality, mol/kg - 4; Liquid
  • Molality, mol/kg - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 105
  • POMD
  • 3
  • 5
  • 4
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Solvent: Molality, mol/kg - 4; Liquid
  • Molality, mol/kg - 3; Liquid
  • Pressure, kPa; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Single path-length method
  • 105
  • POMD
  • 5
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 15
  • POMD
  • 5
  • 4
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 4; Liquid
  • Pressure, kPa; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Single path-length method
  • 15