Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Saturation molalities and standard molar enthalpies of solution of cytidine(cr), hypoxanthine(cr), thymidine(cr), thymine(cr), uridine(cr), and xanthine(cr) in H2O(l)

Tewari, Y. B.[Yadu B.], Gery, P. D.[Patrick, D], Vaudin, M. D.[Mark D], Mighell, A. D.[Alan D], Klein, R., Goldberg, R. N.[Robert N.]
J. Chem. Thermodyn. 2004, 36, 8, 645-658
ABSTRACT
Saturation molalities m(sat) in H2O(l) have been measured for the substances cytidine(cr), hypoxanthine(cr), thymidine(cr), thymine(cr), uridine(cr), and xanthine(cr) by using h.p.l.c. The states of hydration were established by performing Karl-Fischer analyses on samples of these substances, which had been allowed to equilibrate with their respective aqueous saturated solutions for several days at T = 298 K and then dried with air at T 296 K for 24 h. The crystalline forms of the substances were identified by comparison of the results of X-ray diffraction measurements with results from the literature. Also, molar enthalpies of solution DsolHm(cal) for these substances were measured by using an isoperibol solution calorimeter. A self-association (stacking) model was used to estimate values of the activity coefficients c and relative apparent molar enthalpies L/ for these substances. These c and L/ values were used to adjust the measured values of m(sat) and DsolHm(cal) to the standard state and thus obtain values of the standard molar Gibbs free energy DsolGm and enthalpy changes DsolHm for the dissolution reactions of these substances. The values of the pKs and of the standard molar enthalpies of the ionization reactions were also used to account for speciation of the substances in the calculations of DsolGm and DsolHm . Values of standard molar enthalpies of formation DfHm , standard molar Gibbs free energies of formation DfGm, and standard partial molar entropies S2;m for the aqueous species of hypoxanthine and xanthine were calculated. A detailed summary and comparison of thermodynamic results from the literature for these substances is presented.
Compounds
# Formula Name
1 C9H13N3O5 cytidine
2 C5H4N4O 1,7-dihydro-6H-purin-6-one
3 C10H14N2O5 thymidine
4 C5H6N2O2 thymine
5 C9H12N2O6 uridine
6 C5H4N4O2 3,7-dihydropurine-2,6-dione
7 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
  • Mass density, kg/m3 ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • OTHER
  • 1
  • POMD
  • 2
  • Mass density, kg/m3 ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • OTHER
  • 1
  • POMD
  • 3
  • Mass density, kg/m3 ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • OTHER
  • 1
  • POMD
  • 4
  • Mass density, kg/m3 ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • OTHER
  • 1
  • POMD
  • 5
  • Mass density, kg/m3 ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • OTHER
  • 1
  • POMD
  • 1
  • 7
  • Molality, mol/kg ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • OTHER
  • 1
  • POMD
  • 2
  • 7
  • Molality, mol/kg ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • OTHER
  • 5
  • POMD
  • 3
  • 7
  • Molality, mol/kg ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • OTHER
  • 1
  • POMD
  • 4
  • 7
  • Molality, mol/kg ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • OTHER
  • 5
  • POMD
  • 5
  • 7
  • Molality, mol/kg ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • OTHER
  • 1
  • POMD
  • 6
  • 7
  • Molality, mol/kg ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 6
  • OTHER
  • 5