The heat capacities and thermodynamic functions of some derivatives of ferrocene

Abstract

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 6K to 372K. 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=298.15K 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=298.15K 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 an additional check of the reliability of the experimental data.