PREDICTION OF THE VAPORIZATION ENTHALPY BASED ON MODIFIED RANDIC INDICES. I. MONOHYDRIC ALCOHOLS
E. L. Krasnykh
Keywords: vaporization enthalpy, topological index, connectivity index, alcohols, energy of hydrogen bonds, QSPR
Pages: 577-581
Abstract
The vaporization enthalpy of monohydric alcohols with different structures under normal conditions is calculated using a modified Randič method with an error comparable to the experimental one. The energy of hydrogen bonds in alcohols is determined and shown to be constant and independent on the alcohol structure.
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