Prediction of Critical Properties of Normal Alkanes Using Pakmakar−Ivan Topological Index
G. Reza Vakili-Nezhaad, Hossein Sabbaghian-Bidgoli · Journal of Chemical & Engineering Data · 2011
For the first time Pakmakar−Ivan (PI) topological index has been applied for prediction of various critical properties of normal alkanes from methane to eicosane. A general fifth-order polynomial as a function of just a single variable of PI index has been proposed for this prediction. Predicted critical properties of normal alkanes based on this method were compared with the other well-known predictive methods as well as the experimental data, and excellent agreement was obtained.