The heat capacities and thermodynamic functions of some derivatives of ferrocene

The heat capacities of benzoylferrocene (BOF), C5H5FeC5H4COC6H5, and benzylferrocene (BF), C5H5FeC5H4CH2C6H5, have been measured by the low-temperature adiabatic calorimetry in the temperature range from 6 K to 372 K. The purity benzylferrocene and thermodynamic properties - the triple point temperature and the enthalpy of fusion have been obtained. The ideal gas thermodynamic functions (changes of the entropy, enthalpy, and Gibbs free energy) of BOF and BF were derived at T = 298.15 K using the heat capacities and previously determined data on the saturation vapours pressures and the enthalpies of sublimation. The ideal gas enthalpy of formation and absolute entropy of BOF at T = 298.15 K have been obtained from quantum chemical calculations, where as the thermodynamic properties of BF have been estimated by empirical method of group equations. A good agreement between experimental and theoretical values provides ail additional check of the reliability of the experimental data. (C) 2007 Elsevier Ltd. All rights reserved.