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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)

Data source

Reference
Reference Type:
other: software prediction
Title:
No information
Bibliographic source:
ChemSpider database

Materials and methods

Principles of method if other than guideline:
prediction with ACD/Labs
GLP compliance:
no
Type of method:
other: prediction
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
4-[(oxiran-2-yl)methoxy]-9H-carbazole
EC Number:
610-764-2
Cas Number:
51997-51-4
Molecular formula:
C15H13NO2
IUPAC Name:
4-[(oxiran-2-yl)methoxy]-9H-carbazole

Results and discussion

Partition coefficient
Partition coefficient:
3.24

Applicant's summary and conclusion

Conclusions:
Predicted logPow by ACD/Labs = 3.24