Thermochemistry of uracil and thymine revisited

  • Emel'Yanenko V.
  • Verevkin S.
  • Notario R.
Publication date
February 2020
Journal
The Journal of Chemical Thermodynamics

Abstract

© 2015 Published by Elsevier Ltd. Thermochemical properties of uracil and thymine have been evaluated using additional experiments. Standard (p0 = 0.1 MPa) molar enthalpies of formation in the gas phase at T = 298.15 K for uracil -(298.1 ± 0.6) and for thymine -(337.6 ± 0.9) kJ · mol-1 have been derived from energies of combustion measured by static bomb combustion calorimetry and molar enthalpies of sublimation determined using the transpiration method. The G3 and G4 quantum-chemical methods were used for calculations of theoretical gaseous enthalpies of formation being in very good agreement with the re-measured experimental values

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