A consistent set of formation properties of nucleic acid compounds - Purines and pyrimidines in the solid state and in aqueous solution

Enthalpy, Gibbs energy of formation, absolute entropy and heat capacity of purines and pyrimidines were calculated in the solid state and in dilute aq ueous solution from a single reference state. Properties in the solid state were calculated from combustion data. Properties in dilute aqueous solutio n were calculated from solubility data and pK values after reconciliation. From this complete set of consistent data, the transformed properties were calculated. Missing data were made up using chemical group contribution tec hniques giving the formation properties of some chemical bonds specific to purines and pyrimidines. (C) 2001 Elsevier Science B.V. All rights reserved .