An algorithm for the computation of the hyper-Wiener index ω of trees (i.e. branched acyclic molecules) is presented. The input for the algorithm is the list of connections. Multiple linear regression equation was derived between boiling points, ω and the flexibility index p in series of acyclic heptane, octane and nonane isomers. The multiple correlation coefficients obtained for the regression equations were equal to r = 0.992 (heptane), r = 0.975 (octane) and r = 0.960 (nonane).
ASJC Scopus subject areas
- Applied Microbiology and Biotechnology
- Chemical Engineering(all)