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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
(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 adequate and reliable documentation / justification
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: (Q)SAR
Title:
EPI Suite TM v4.0
Author:
U.S. Environmental Protection Agency
Year:
2009
Bibliographic source:
http://www.epa.gov/opptintr/exposure/pubs/episuitedl.htm

Materials and methods

Principles of method if other than guideline:
Hansch-Leo method
Type of method:
other: (Q)SAR EPIWIN 4.00
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
2,4-dichloro-1-(trichloromethyl)benzene
EC Number:
235-868-1
EC Name:
2,4-dichloro-1-(trichloromethyl)benzene
Cas Number:
13014-18-1
Molecular formula:
C7H3Cl5
IUPAC Name:
2,4-dichloro-1-(trichloromethyl)benzene
Constituent 2
Reference substance name:
Benzene, 2,4-dichloro-1-(trichloromethyl)-
IUPAC Name:
Benzene, 2,4-dichloro-1-(trichloromethyl)-

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
5.18
Temp.:
25 °C
Remarks on result:
other: according to (Q)SAR estimation

Applicant's summary and conclusion

Conclusions:
According to a sufficient reliable (Q)SAR estimation the log Pow for the test item is 5.18.