A crystalline form of S-6-C-60(CF3)(12) was synthesized in an amount sufficient for reliable experimental investigation. We determined the enthalpy of combustion of S-6-C-60(CF3)(12) in oxygen and its heat capacity, which made possible to derive the thermodynamic functions of S-6-C-60(CF3)(12), namely the enthalpy of formation, the entropy and the Gibbs energy at T = 298.15 K. These experimental thermochemical data enabled estimation of the formation energy for a broad range of other trifluoromethylated compounds C-60(CF3)(n), with n = (2-18; 24), on the basis of their DFT calculated relative energies. (c) 2013 Published by Elsevier Ltd.