CORRELATING THERMOCHEMICAL DATA WITH MOLAR VOLUMES - TOWARD DEFINING CHEMICAL SPACE

Molar volumes of homologous sequences of alkyl derivatives are linearl y related to enthalpies of formation and vaporization. The square root of the product of the enthalpy of formation and the corresponding mol ar volume [(-DELTAH(f))(V(m))]1/2 for DELTAH(f) < 0, and the square ro ot of the product of the enthalpy of vaporization and the molar volume [(DELTAH(v)) (V(m))]1/2, are shown to be genuine thermochemical param eters. These last two parameters and the correlations between molar vo lumes and thermochemical data indicate that there is a close associati on between volume, energy and mass in the domain of chemical space, fo r which a definition is proposed.