Abstract
The thermochemical study of cubane-1,4-dicarboxylic acid (1), diethyl cubane-1,4-dicarboxylate (2), diisopropyl cubane-1,4-dicarboxylate (3), and bis(2-fluoro-2,2-dinitro)ethyl cubane-1,4-dicarboxylate (4) was performed. The standard enthalpies of combustion (ΔcH°) and formation (ΔfH°) of these compounds were estimated using the method of combustion in a calorimetric bomb in an oxygen atmosphere. Using the additive group method, calculated values for ΔfH° of these substances which agreed satisfactorily with the experimental ones were obtained. The strain energies (Es) of the cubic structure of derivatives1–4 were calculated. It was concluded thatEs did not change on substitution of hydrogen atoms in cubane for various functional groups and was equal toEs of the structure of cubane itself. The reliability of the single published value of ΔfH° in the cubane crystal state, 541.8 kJ mol−1 (129.5 kcal mol−1), was confirmed.
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