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Environmental fate & pathways

Adsorption / desorption

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Description of key information

For the components of this UVCB substance adsorption to the solid soil phase and suspended particles is expected. Therefore, low  mobility in soil can be assumed.

Key value for chemical safety assessment

Additional information

The Koc for this UVCB substance can not be determined experimentally due to its low water solubility and because it is a reaction product consisting of a variety of constituents. Therefore, it is not possible to calculate a single Koc.

Therefore, the adsorption potential was estimated on the basis of the Koc values of the representative constituents of this UVCB substance. The calculated logKoc values derived with KOCwin v.2.00 for the C4, C8 mono-, di-and tri- alkylated diphenylamine derivatives range from approximately 3.8 to 8.1 L/kg (BASF SE 2017).

LogKOC values derived with the logKow method, were not considered relevant for structures with a logKow > 8 as the this log Kow lies out of the applicability domain of the model.

Constituent

C4 monoalkylated DPA

C4C4 dialkylated DPA

C8 monoalkylated DPA

C4C8 dialkylated DPA

C8C8 dialkylated DPA

C4C4C4 trialkylated DPA

C4C8C8 trialkylated DPA

C8C8C8 trialkylated DPA

 

SMILES code

c1ccc(cc

1)Nc2c

cc(cc2)C

(C)(C)C

c1cc(ccc1

Nc2ccc

(cc2)C(C)(C)

C)C(C)

(C)C

 

c1ccc(cc1)Nc

2ccc(cc2)C(C)

(C)CC(C)(C)C

c1cc(ccc

1Nc2ccc

(cc2)C(C)

(C)CC(C)

(C)C)C(C)(C)C

c1cc(c

cc1Nc2c

cc(cc2)C

(C)(C)CC

(C)(C)C)C

(C)(C)C

C(C)(C)C

c1cc(ccc

1Nc2ccc

(cc2C(C)(

C)C)C(C)

(C)C)C

(C)(C)C

CC(C)(C)

CC(C)(C)c

1ccc(Nc2

ccc(C(C)

(C)CC(C)

(C)C)cc2

C(C)(C)C

)cc1

CC(C)(C)

CC(C)(C)c

1ccc(Nc2c

cc(C(C)(C)

CC(C)(C)C

)cc2)c(C(C)

(C)CC(C)(C)C)

c1

 

MW (g/mol)

225.34

281.44

281.44

337.5

393.66

337.55

449.77

508.88

 

logKow (estimated)

5.20

 

7.11

7.05

8.96

10.82

9.02

12.73

14.58

 

logKOC (MCI) L/kg

3.7537

4.5905

4.6436

5.4804

6.3703

5.4360

7.2158

8.1057

 

logKOC (KOW) L/kg

3.7582

4.8146

4.7815

5.8379*

6.8668*

5.8711*

7.9232*

8.9465*

 

·        logKow out of the applicability domain of the model