ESTIMATION OF PROPERTIES OF ACYCLIC ORGANIC-COMPOUNDS USING CONJUGATION OPERATORS

The ABC approach to the estimation of thermodynamic and physical prope rties of organic compounds is based on the contributions of Atoms and Bonds in the properties of Conjugate forms of a molecular structure. T he method has successfully been applied to the estimation of propertie s of acyclic hydrocarbons. In this article, the approach is extended t o the estimation of thermodynamic and physical properties of acyclic o rganic compounds which may contain nitrogen, oxygen, or sulfur. The es timated properties are standard enthalpy of formation, normal boiling point, standard enthalpy of vaporization, critical pressure, critical temperature, and critical volume. The ABC technique is more accurate t han a typical group-contribution approach.