Journal of Chemical and Engineering Data, Vol.56, No.4, 1042-1046, 2011
Prediction of Critical Properties of Normal Alkanes Using Pakmakar-Ivan Topological Index
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.