Chemical Applicability of Newly Introduced Topological Invariants and Their Relation with Polycyclic Compounds

Table 1

Octane isomers and experimental values of , AF, HVAP, and DHVAP along with corresponding values of the , , , and .

Alkanes		AF	HVAP	DHVAP
-octane	111.700	0.398	73.190	9.915	24.423	84.496	2.193	0.679
2-methylheptane	109.800	0.378	70.300	9.484	27.173	98.746	1.962	0.573
3-methylheptane	111.300	0.371	71.300	9.521	27.954	107.475	2.058	0.568
4-methylheptane	109.300	0.372	70.910	9.483	27.954	113.356	2.058	0.600
3-ethylhexane	109.400	0.362	71.700	9.476	28.735	131.941	2.154	0.476
2,2-dimethylhexane	103.400	0.339	67.700	8.915	33.607	122.970	1.689	0.471
2,3-dimethylhexane	108.000	0.348	70.200	9.272	31.637	110.622	1.862	0.498
2,4-dimethylhexane	107.000	0.344	68.500	9.029	30.885	123.236	1.827	0.474
2,5-dimethylhexane	105.700	0.357	68.600	9.051	32.248	133.242	1.731	0.469
3,3-dimethylhexane	104.700	0.323	68.500	8.973	35.213	151.398	1.829	0.449
3,4-dimethylhexane	106.600	0.340	70.200	9.316	32.418	117.701	1.958	0.578
2-methyl-3-ethylpentane	106.100	0.332	69.700	9.209	32.418	176.111	1.958	0.342
3-methyl-3-ethylpentane	101.500	0.307	69.300	9.081	36.820	149.222	1.968	0.377
2,2,3-trimethylpentane	101.300	0.301	67.300	8.826	38.834	164.366	1.606	0.338
2,2,4-trimethylpentane	104.100	0.305	64.870	8.402	36.537	155.874	1.459	0.358
2,3,3-trimethylpentane	102.100	0.293	68.100	8.897	39.659	141.657	1.649	0.462
2,3,4-trimethylpentane	102.400	0.317	68.370	9.014	35.321	168.797	1.666	0.390
2,2,3,3-trimethylbutane	93.060	0.255	66.200	8.410	46.000	223.620	1.263	0.227