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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Physical & Chemical properties

Partition coefficient

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
no data
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:
1. SOFTWARE: No data

2. MODEL (incl. version number): No data

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL: Not specified

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL: No data

5. APPLICABILITY DOMAIN: Yes

6. ADEQUACY OF THE RESULT
Yes
Principles of method if other than guideline:
Calculation
GLP compliance:
not specified
Type of method:
calculation method (fragments)
Partition coefficient type:
octanol-water
Key result
Type:
log Pow
Partition coefficient:
-3.17
Remarks on result:
other: Temperature and pH not applicable as (Q)SAR calculation
Conclusions:
Log pow = -3.17 (calculated value)
Executive summary:

log pow = -3.17

Description of key information

Log pow = -3.17 (calculated value)

Key value for chemical safety assessment

Log Kow (Log Pow):
-3.17

Additional information