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Environmental fate & pathways

Adsorption / desorption

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Reference
Endpoint:
adsorption / desorption: screening
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
Justification for type of information:
Documentation about the justification is provided in attachment.

This endpoint study record provides two separate QSAR predictions (based on different methodologies) which are consistent each other. Since data sources agree in the estimated value of Koc, they are deemed to be sufficient to fulfil the information requirements.
Reason / purpose:
reference to other study
Qualifier:
equivalent or similar to
Guideline:
other: ECHA guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals.
Sample No.:
#1
Type:
Koc
Remarks:
Koc Estimate from MCI.
Value:
1 463 000 L/kg
Remarks on result:
other: temperature and pH value are not stated by the QSAR model.
Sample No.:
#2
Type:
Koc
Remarks:
Koc Estimate from Log Kow.
Value:
9 983 000 L/kg
Remarks on result:
other: temperature and pH value are not stated by the QSAR model.
Key result
Sample No.:
#3
Type:
Koc
Remarks:
Consensus method (i.e. mean value)
Value:
5 723 000 L/kg
Remarks on result:
other: temperature and pH value are not stated by the QSAR models.

The result appears to be reliable as the predicted compound falls into the applicability domain of the model. Moreover, consistent results have been obtained by two separate calculation methodologies (i.e. "Koc estimate from MCI" and " Koc estimate from Log Kow").

Validity criteria fulfilled:
yes
Remarks:
The reliability of the prediction is deemed to acceptable as the compound falls into the applicability domain of the model.
Conclusions:
The predicted Koc is equal to 5,723,000 L/kg (mean value).

Description of key information

The substance has a predicted Koc of 5,723,000 L/kg (mean value).

Key value for chemical safety assessment

Koc at 20 °C:
5 723 000

Additional information