Group Vector Space Method for Estimating the Normal Boiling Temperature and Enthalpy of Vaporization of Organic Compounds
Journal of Chemical & Engineering Data2004Vol. 49(5), pp. 1249–1253
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Abstract
The specific position of a group in the molecule has been considered, and a group vector space method has been developed to estimate the normal boiling temperature and enthalpy of vaporization of organic compounds. Expressions for the boiling temperature Tb and enthalpy of vaporization ΔvapH(Tb) have been established, and numeric values of relative group parameters have been obtained. The average percent deviations of the estimation of Tb andΔvapH(Tb) are 1.5 and 1.0, respectively, which show that the present method demonstrates significant improvement in the ability to predict the above properties, compared to that of conventional group methods.
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