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Environmental fate & pathways

Adsorption / desorption

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Reference
Endpoint:
adsorption / desorption, other
Remarks:
calculation
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Justification for type of information:
information from database
Qualifier:
according to guideline
Guideline:
other: Calculated (ACD/Labs) Software V11.02
Type of method:
other: calculation
Type:
Koc
Value:
1 L/kg
pH:
1
Temp.:
25 °C
Type:
Koc
Value:
1 L/kg
pH:
2
Temp.:
25 °C
Type:
Koc
Value:
4.13 L/kg
pH:
3
Temp.:
25 °C
Type:
Koc
Value:
30.32 L/kg
pH:
4
Temp.:
25 °C
Type:
Koc
Value:
103.89 L/kg
pH:
5
Temp.:
25 °C
Type:
Koc
Value:
137.69 L/kg
pH:
6
Temp.:
25 °C
Key result
Type:
Koc
Value:
142.33 L/kg
pH:
7
Temp.:
25 °C
Type:
Koc
Value:
142.81 L/kg
pH:
8
Temp.:
25 °C
Type:
Koc
Value:
142.86 L/kg
pH:
9
Temp.:
25 °C
Type:
Koc
Value:
142.86 L/kg
pH:
10
Temp.:
25 °C
Validity criteria fulfilled:
yes
Conclusions:
The calculated Koc value is reported to 142.33 L/kg at pH 7 and 25°C.
Executive summary:

The results were calculated with (ACD/Labs) Software V11.02 and are thus considered to be reliable with restrictions.

Description of key information

The calculated Koc value is reported to 142.33 L/kg at pH 7 and 25°C. The results were calculated with (ACD/Labs) Software V11.02 and are thus considered to be reliable with restrictions.

Key value for chemical safety assessment

Koc at 20 °C:
142.33

Additional information

With a further model, the Koc value is reported to 568 L/kg. The result was calculated with a generally accepted model and is thus considered to be reliable with restrictions