SOME TOPOLOGICAL INDICES DERIVED FROM THE vmdn MATRIX.
PART 8. THE Lij(m,n) INDICES
Anton Perdih,* Branislav
Perdih
Mala vas 12, SI-1000 Ljubljana, Slovenia
Abstract
The best correlation between
some Lij(m,n) indices and physicochemical properties of alkanes,
using data from propane to all octanes inclusive is observed at the pairs
Lij(0,0) and Mw (r = 1),
Lij(1/4,1/4) and
Tc2/Pc
(r = 0.9995), Lij(0,0) and MR (r = 0.998), Lij(0,1/2) and Tc/Pc (r = 0.998),
Lij(-1/3,0) and DHf°g (r = 0.994),
Lij(0,1/3) and Vc (r = 0.991), and
Lij(1/3,0) and BP (r = 0.991). The best correlation using only data of
octanes is observed at the pairs Lij(1/2,‑1)
and Tc/Pc (r = -0.996), Lij(-1/4,-1) and
w (r = ‑0.994),
Lij(1,-1) and BP/Tc (r = -0.991), Lij(1/4,3) and MON (r =
-0.984), Lij(1/4,1/4) and
Tc2/Pc
(r = 0.982),
Lij(‑1/2,-6) and C (r = 0.967),
Lij(-1,-2) and S (r = ‑0.961), as well as at
Lij(1,1/2) and Pc (r = ‑0.961).
Thirteen Lij(m,n) indices having -1 < m < 0 and -2
£ n < 0 have a regular sequence of
isomers. These Lij(m,n) indices seem to be good sources of the
susceptibility for branching derived BIA type branching
indices.