Table 2. Calculated Partition Coefficients of Various Substances in the Hexane–Benzene–Acetonitrile System.

molecule	Kicalc	group composition of the molecule	estimated nonpolar RI
octane	9.54	2·CH3 6·CH2	800
methylheptane	9.52	3·CH3 4·CH2 1·CH	752
2,2,4-trimethylpentane	9.86	5·CH3 1·CH2 1·CH 1·C	668
tridecane	33.40	2·CH3 11·CH2	1300
pentadecane	55.13	2·CH3 13·CH2	1500
heptadecane	91.00	2·CH3 15·CH2	1700
cyclohexane	4.34	6·CH2	719
methylcyclohexane	5.58	1·CH3 5·CH2 1·CH	781
naphthalene	0.78	8·ACH 2·AC	1231
methylnaphthalene	0.91	7·ACH 2·AC 1·ACCH3	1345
dimethylnaphthalene	1.05	6·ACH 2·AC 2·ACCH3	1458
trimethylnaphthalene	1.21	5·ACH 2·AC 3·ACCH3	1571
methylethylnaphthalene	1.50	6·ACH 2·AC 1·ACCH2 1·CH3 1·ACCH3	1571
fluorene	0.76	9·ACH 4·AC	1494
methylfluorene	0.87	8·ACH 4·AC 1·ACCH3	1607
anthracene	0.74	10·ACH 4·AC	1782
methylanthracene	0.85	9·ACH 4·AC 1·ACCH3	1896
dimethylanthracene	0.99	8·ACH 4·AC 2·ACCH3	2009
pyrene	0.73	10·ACH 6·AC	1984
methylpyrene	0.84	9·ACH 6·AC 1·ACCH3	2097
tetracene	0.69	12·ACH 6·AC	2210
pyridine	0.14	1·C5H5N	674
methylpyridine	0.26	1·CH3 1·C5H4N	787