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Environmental fate & pathways

Adsorption / desorption

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Reference
Endpoint:
adsorption / desorption
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
Not reported
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Derived using calculation method software which has been validated for organic substances.
Justification for type of information:
Please refer to attached QPRF below.
Guideline:
other: Guidance on information requirements and chemical safety assessment, R.6 QSAR and grouping of chemicals
Deviations:
no
Principles of method if other than guideline:
No guideline mentioned in data source.
GLP compliance:
no
Type of method:
other: estimation software
Key result
Type:
Koc
Value:
>= 6 262 000 - <= 13 760 000 L/kg
Matrix:
Koc (KOCWIN) - MCI
Remarks on result:
other: Koc (KOCWIN) - MCI
Remarks:
QSAR derivation
Key result
Type:
log Koc
Value:
>= 6.797 - <= 7.139 dimensionless
Matrix:
Log Koc (KOCWIN) - MCI
Remarks on result:
other: Log Koc (KOCWIN) - MCI
Remarks:
QSAR derivation
Key result
Type:
Koc
Value:
>= 64 790 000 - <= 74 760 000 L/kg
Matrix:
Koc (KOCWIN) -Kow
Remarks on result:
other: Koc (KOCWIN) -Kow
Remarks:
QSAR derivation
Key result
Type:
log Koc
Value:
>= 7.811 - <= 7.874 dimensionless
Matrix:
Log Koc (KOCWIN) -Kow
Remarks on result:
other: Log Koc (KOCWIN) -Kow
Remarks:
QSAR Determination
Validity criteria fulfilled:
yes
Remarks:
Known QSAR programme.
Conclusions:
Please refer to the attached QPRF for justification of suitablility of this approach. The estimation software gives a Koc value estimates as follows:
>= 6262000 - <= 1.376E7 L/kg by Koc (KOCWIN) - MCI
>= 6.7967- <= 7.1387dimensionless by Log Koc (KOCWIN) - MCI
>= 6.479E7 - <= 7.476E7 L/kg by Koc (KOCWIN) -Kow
>= 7.8115 - <= 7.8737 dimensionless by Log Koc (KOCWIN) -Kow

The substance is predicted to adsorp to soil on this basis.

.
Executive summary:

Please refer to the attached QPRF for justification of suitablility of this approach.  The estimation software gives a Koc value estimates as follows:

>= 6262000 - <= 1.376E7 L/kg by     Koc (KOCWIN) - MCI       

>= 6.7967- <= 7.1387dimensionless by Log Koc (KOCWIN) - MCI

>= 6.479E7 - <= 7.476E7 L/kg by Koc (KOCWIN) -Kow               

>= 7.8115 - <= 7.8737 dimensionless by Log Koc (KOCWIN) -Kow        

    

The substance is predicted to adsorp to soil on this basis.

Description of key information

Key value for chemical safety assessment

Koc at 20 °C:
74 760 000

Additional information

The estimation software gives a Koc value estimates as follows:

>= 6262000 - <= 1.376E7 L/kg by     Koc (KOCWIN) - MCI       

>= 6.7967- <= 7.1387dimensionless by Log Koc (KOCWIN) - MCI

>= 6.479E7 - <= 7.476E7 L/kg by Koc (KOCWIN) -Kow               

>= 7.8115 - <= 7.8737 dimensionless by Log Koc (KOCWIN) -Kow        

    The substance is predicted to adsorp to soil on this basis.

The highest Koc value has been used for the chemical safety assessment

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