Predicting the Boiling Point of Alkane and Cycloalkane using a Novel Molecular Structure Information Connectivity Index

Based on characteristics and connectivity of the atoms in molecules,a novel molecular structure information connectivity index~mE was derived in this paper. Values of~1E are very easy to be calculated and are quite different for alkanes and cycloalkanes,which can be used to predict their respective boiling points. It was concluded that this index possesses excellent structure (selectivity) and correlativity compared with other indices. The results obtained showed that the calculated boiling points of cycloalkanes were in good agreement with the experimental data,with an average error of 1.14%.