ESTIMATION OF THERMODYNAMIC AND PHYSICAL-PROPERTIES OF ACYCLIC HYDROCARBONS USING THE ABC APPROACH AND CONJUGATION OPERATORS

Fast and reliable estimation of thermodynamic and physical properties of organic compounds is essential for the analysis and design of chemi cal processing systems. The ABC approach is based on the contributions of Atoms and Bonds in the properties of Conjugate forms of a molecula r structure. In this article, the principles of this approach are appl ied to the estimation of thermodynamic and physical properties of hydr ocarbons. Standard enthalpy of formation, standard entropy, normal boi ling point, standard enthalpy of vaporization, critical pressure, crit ical temperature, and critical volume are estimated. Compared to a gro up-contribution approach, the ABC technique is more accurate, and it i nvolves the same or substantially smaller number of parameters.