A. Perdih, On topological indices indicating branching. Part 2. The suitability of some physicochemical properties of alkanes as references to assess branching, ACTA CHIM S, 47(3), 2000, pp. 293-316
The susceptibility for branching, S-i,S-j, the difference-normalised differ
ence of data for octanes, Delta norm(i), as well as a number of additional
criteria are used to judge the suitability of 24 physicochemical properties
of alkanes as references for branching. The most appropriate as primary re
ferences for branching regarding these criteria seem to be Delta Hf degrees
g, Tc/Pc, and BP/Tc. They are to be used simultaneously. The following pro
perties, Tc-2/Pc, omega, and C are considered less appropriate. The other t
ested physicochemical properties are considered inappropriate measures of b
ranching. From the data of Delta Hf degrees g, Tc/Pc, and BP/Tc, reference
values for branching indices are constructed, obeying the Methane-based def
inition as well as for those indices obeying the n-Alkane-based definition
of molecular branching.