Abstract

The ring inversion and internal rotation parameters in cyclohexylformate, cyclohexylacetate, cyclo- hexylbutyrate, and cyclohexylvalerate molecules were studied by the MM2 method using the force field. The entropy of gaseous cyclohexylformate at T = 283.19 K calculated by statistical thermodynamics methods agrees fairly well with the experimental value; this is indirect support of the correctness of the calculated parameters of the V ( φ ) functions for internal rotation and ring inversion in cyclohexylformate molecules.

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