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The heat capacities of acetylferroeene, l,l "-diacetylferrocene, and 1,I "-diethylferrocene were investigated by low-temperature adiabatic calorimetry in the temperature range from 5 to 300 K and their thermodynamic functions were calculated. The enthalpies of combustion of the substances were determined by calorimetry, of combustion, and the thermodynamic functions of their formation were calculated by quantum chemistry, methods_ Inter-and intramolecular interactions of the ferrocene derivatives were also studied by the methods of molecular mechanics and molecular dynamics.