Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Thermodynamics of aqueous adenine: Standard partial molar volumes and heat capacities of adenine, adeninium chloride, and sodium adeninate from T = 283.15 K to 363.15 K

Lowe, A. R.[Alexander R.], Cox, J. S.[Jenny S.], Tremaine, P. R.[Peter R.]
J. Chem. Thermodyn. 2017, 112, 129-145
ABSTRACT
Apparent molar volumes, V/, and apparent molar heat capacities, Cp,/, were measured for aqueous solutions of neutral adenine (AdH) and adeninium chloride (AdH2Cl) at temperatures from 288.15 K to 363.15 K, and for sodium adeninate (NaAd) at temperatures from 283.15 K to 313.15 K. Density measurements used in the determination of the standard partial molar volume, Vo, were made with a vibratingtube densimeter at ambient pressure. Heat capacity measurements used in the determination of the standard partial molar heat capacity, Cp o, were made with a twin fixed-cell, differential output, power compensating, temperature-scanning calorimeter at a pressure of 0.4 MPa. The contributions from minor equilibrium species were removed using Young fs Rule to yield values for the standard partial molar volume and heat capacities of the ionic species AdH2 + (aq) and Ad (aq), and the equilibrium mixture of neutral species AdH.(aq). Semi-empirical equations describing the temperature dependence of Vo and Cp o for each species were fitted by regression to the experimental results. From these equations, the standard partial molar volume change DrVo m and heat capacity change DrCp o m for the ionization reactions were calculated. The standard partial molar volumes presented in this study for neutral adenine are the first to be experimentally determined at temperatures above 330 K, while the standard partial molar heat capacities are the first to be reported at temperatures above 298.15 K. The experimental values for the adeninium cation and adeninate anion are the first to be reported in the literature.
Compounds
# Formula Name
1 H2O water
2 C5H5N5 6-amino-1H-purine
3 C5H6ClN5 adenine hydrochloride
4 ClH hydrogen chloride
5 C5H4N5Na sodium adeninate
6 HNaO sodium hydroxide
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
  • Molality, mol/kg - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 48
  • POMD
  • 2
  • 1
  • Heat capacity at constant pressure per volume, J/K/m3 ; Liquid
  • Molality, mol/kg - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • DSC
  • 48
  • POMD
  • 3
  • 4
  • 1
  • Mass density, kg/m3 ; Liquid
  • Molality, mol/kg - 3; Liquid
  • Molality, mol/kg - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 48
  • POMD
  • 3
  • 4
  • 1
  • Heat capacity at constant pressure per volume, J/K/m3 ; Liquid
  • Molality, mol/kg - 3; Liquid
  • Molality, mol/kg - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • DSC
  • 48
  • POMD
  • 6
  • 1
  • 5
  • Mass density, kg/m3 ; Liquid
  • Molality, mol/kg - 5; Liquid
  • Molality, mol/kg - 6; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 9
  • POMD
  • 6
  • 1
  • 5
  • Heat capacity at constant pressure per volume, J/K/m3 ; Liquid
  • Molality, mol/kg - 5; Liquid
  • Molality, mol/kg - 6; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • DSC
  • 9