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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
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:
QSAR calculations applying the valid QSAR calculation tool EPI-Suite (EPIWEB v 4.1) were conducted based on the cas no: 97281-48-6
Qualifier:
according to guideline
Guideline:
other: QSAR calculation
Version / remarks:
EPIWEB 4.1
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
QSAR calculation based on CAS: 97281-48-6
Key result
Type:
log Pow
Partition coefficient:
13.77
Temp.:
25 °C
pH:
7
Remarks on result:
other: Temperature and pH is not reported. Ambient temperature of 25 C and pH of 7 are assumed
Conclusions:
QSAR calculations were applied to determine a Log Pow of 13.77
Executive summary:

QSAR calculations were applied to determine a Log Pow of 13.77

Description of key information

QSAR calculations were applied to determine a Log Pow of 13.77

Key value for chemical safety assessment

Log Kow (Log Pow):
13.77
at the temperature of:
25 °C

Additional information