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Table 1 MDEV index of the investigated PBDEs

From: QSPR study on the octanol/air partition coefficient of polybrominated diphenyl ethers by using molecular distance-edge vector index

No.

PBDE congeners

μ 1

μ 2

1

2 -monobro

0

1.1111

2*

3 -monobro

0

1.0625

3

2,4 -dibro

0.0625

2.1511

4

2,4′ -dibro

0.0204

2.1511

5

2,6 -dibro

0.0625

2.2222

6*

3,4 -dibro

0.1111

2.1025

7

3,4′ -dibro

0.0156

2.1025

8

4,4′ -dibro

0.0123

2.0800

9

2,3,4 -tribro

0.2847

3.2136

10*

2,4,6 -tribro

0.1875

3.2622

11

2,4′,6 -tribro

0.1033

3.2622

12

3,3′,4 -tribro

0.1471

3.1650

13

3,4,4′ -tribro

0.1391

3.1425

14*

2,2′,4,4′ -tetrabro

0.2182

4.3022

15

2,3′,4,4′ -tetrabro

0.2498

4.2536

16

2,3′,4,6 -tetrabro

0.2587

4.3247

17

2,4,4′,6 -tetrabro

0.2407

4.3022

18*

3,3′,4,4′ -tetrabro

0.2862

4.2050

19

2,2′,3,3′,4 -pentabro

0.5478

5.3872

20

2,2′,4,4′,5 -pentabro

0.4127

5.3647

21

2,3′,4,4′,6 -pentabro

0.4230

5.3647

22*

2,2′,4,4′,5,5′ -hexabro

0.6276

6.4272

  1. *The PBDE congeners in the test set (see text).