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  5. Volume 1, Number 1, 2021
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  7. Table 1

Bioconcentration Factor of Polychlorinated Biphenyls and Its Correlation with UV- and IR-Spectroscopic data: A DFT based Study

Table 1.

Biphenyl and PCB congeners withtheir experimental logarithmic BCF [30]
S.N. Chemical Name LogBCF S.N. Chemical Name LogBCF
1 Biphenyl 2.64 30 2,3,3`,4,4`-pentachloro- 5.00
2 4-chloro- 2.77 31 2,3,3`,4,6-pentachloro- 5.00
3 2,2`-dichloro- 3.38 32 2,3`,4,4`,5-pentachloro- 5.00
4 2,3-dichloro- 4.11 33 3,3`,4,4`,5-pentachloro- 5.81
5 2,3`-dichloro- 3.80 34 2,2`,3,3`,4,4`-hexachloro- 5.77
6 2,4-dichloro- 3.55 35 2,2`3,3`,6,6`-hexachloro- 5.43
7 2,4`-dichloro- 3.57 36 2,2`,3,4,4`,5-hexachloro- 5.88
8 2,5-dichloro- 3.89 37 2,2`3,4,4`,5`-hexachloro- 5.39
9 3,5-dichloro- 3.78 38 2,2`,3,4,5,5`-hexachloro- 5.81
10 4,4`-dichloro- 3.28 39 2,2`,3,4`,5,6`-hexachloro- 5.39
11 2,2`,5-trichloro- 4.11 40 2,2`,3,5,5`,6-hexachloro- 5.54
12 2,4,4`-trichloro- 4.20 41 2,2`,4,4`,5,5`-hexachloro- 5.65
13 2,4,5-trichloro- 4.26 42 2,2`,4,4`,6,6`-hexachloro- 4.93
14 2,4`,5-trichloro- 4.23 43 2,3,3`,4,4`,5-hexachloro- 5.39
15 2,2`,3,3`-tetrachloro- 4.23 44 2,3,3`,4,4`,5`-hexachloro- 5.39
16 2,2`,3,5`-tetrachloro- 4.84 45 3,3`,4,4`,5,5`-hexachloro- 5.97
17 2,2`,4,4`-tetrachloro- 4.85 46 2,2`,3,3`,4,5,6`-heptachloro- 5.80
18 2,2`,4,5-tetrachloro- 5.00 47 2,2`,3,4,4`,5,5`-heptachloro- 5.80
19 2,2`,4,5`-tetrachloro- 4.84 48 2,2`,3,4,4`,5,6`-heptachloro- 5.80
20 2,2`,5,5`-tetrachloro- 4.63 49 2,2`,3,4,4`,5`,6-heptachloro- 5.84
21 2,2`,6,6`-tetrachloro- 3.85 50 2,2`,3,4`,5,5`,6-heptachloro- 5.80
22 2,3,4`,6-tetrachloro- 4.60 51 2,3,3`,4,4`,5`,6-heptachloro- 5.84
23 2,3`,4`,5-tetrachloro- 4.77 52 2,2`,3,3`,4,4`5,5`-octachloro- 5.81
24 3,3`,4,4`-tetrachloro- 4.59 53 2,2`,3,3`,4,4`5,6-octachloro- 5.92
25 2,2`,3,4,5`-pentachloro- 5.38 54 2,2`,3,3`,4,4`5,6`-octachloro- 5.92
26 2,2`,3,4`,5-pentachloro- 5.00 55 2,2`,3,3`,4, 5,5`,6-octachloro- 5.88
27 2,2`,3`,4,5`-pentachloro- 5.43 56 2,2`,3,3`,5,5`,6,6`-octachloro- 5.82
28 2,2`,4,4`,5-pentachloro- 5.00 57 2,2`,3,3`,4,5,5`,6,6`-nonachloro- 5.71
29 2,2`,4,5,5`-pentachloro- 5.40 58 Decachloro- 5.44