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Table 6 Newly added data for PBDEs and resulting OPERA model predicted logP values

From: OPERA models for predicting physicochemical properties and environmental fate endpoints

DTXSID

Name

CASRN

OPERA logP (old)

Newly added data

OPERA logP (new)

DTXSID40872703

BDE-17

147217-75-2

5.13

5.74 ± 0.22

5.80

DTXSID4052710

BDE-28

41318-75-6

4.17

5.94 ± 0.15

5.97

DTXSID3030056

BDE-47

5436-43-1

5.65

6.81 ± 0.08

6.56

DTXSID4052685

BDE-85

182346-21-0

6.00

7.37 ± 0.12

7.38

DTXSID9030048

BDE 99

60348-60-9

6.03

7.32 ± 0.14

7.38

DTXSID4052689

BDE-100

189084-64-8

6.04

7.24 ± 0.16

7.26

DTXSID4030047

BDE-153

68631-49-2

6.00

7.90 ± 0.14

7.72

DTXSID3052692

BDE-154

207122-15-4

5.94

7.82 ± 0.16

7.72

DTXSID8052693

BDE-183

207122-16-5

6.09

8.27 ± 0.26

8.19