Registration Dossier
Registration Dossier
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EC number: 946-329-1 | CAS number: -
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption, other
- Remarks:
- QSAR prediction of log Koc
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2017-11-24
- 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 adequate and reliable documentation / justification
- Justification for type of information:
- please refer to 'Attached justification'
- Guideline:
- other: REACH Guidance R.6
- Principles of method if other than guideline:
- - Software tool(s) used including version: EPIWIN v4.11
- Model(s) used: KOCWIN v2
- Model description: see field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification' - Computational methods:
- - Adsorption coefficient per organic carbon (Koc): prediction according to MCI method and Kow method with KOCWIN v2.0
- Type:
- Koc
- Remarks:
- Kow method
- Value:
- 0 L/kg
- Type:
- Koc
- Remarks:
- MCI method
- Value:
- 978.7 L/kg
- Type:
- log Koc
- Remarks:
- MCI method
- Value:
- 2.99 dimensionless
- Type:
- log Koc
- Remarks:
- Kow method
- Value:
- -9.72 dimensionless
- Conclusions:
- The logKoc determined by KOCWIN v2.00 was 2.99 and -9.72 for the MCI and Kow method, respectively.
- Executive summary:
The logKoc was determined by KOCWIN v2.00, which is implemented in the tool EPIWIN v4.11. The logKoc was 2.99 and -9.72 for the MCI and Kow method, respectively.
Reference
Description of key information
The logKoc was determined by KOCWIN v2.00, which is implemented in the tool EPIWIN v4.11. The logKoc was 2.99 and -9.72 for the MCI and Kow method, respectively.
Key value for chemical safety assessment
- Koc at 20 °C:
- 978.7
Additional information
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