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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Currently viewing:

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:
other: see 'Remark'
Remarks:
The review reports the octanol/water partition coefficient of benzylchloride obtained via QSAR or with an experiment. Very few data are giving concerning methodology and results. However, this study should be considered as reliable with restrictions, a Klimisch 2g: data from collection of peer-reviewed data.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Referenceopen allclose all

Reference Type:
review article or handbook
Title:
Exploring QSAR. Hydrophobic, electronic, and steric constants
Author:
Hansch C., Leo A. and Hoekman D.
Year:
1995
Bibliographic source:
ACS Professional Reference Book, American Chamical Society, Washington, DC
Reference Type:
review article or handbook
Title:
alpha, alpha, alpha-trichlorotoluene (trichloromethylbenzene)
Author:
UNEP
Year:
2004
Bibliographic source:
OECD SIDS

Materials and methods

Principles of method if other than guideline:
No data
GLP compliance:
not specified
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
α,α,α-trichlorotoluene
EC Number:
202-634-5
EC Name:
α,α,α-trichlorotoluene
Cas Number:
98-07-7
Molecular formula:
C7H5Cl3
IUPAC Name:
α,α,α-trichlorotoluene
Constituent 2
Reference substance name:
trichloromethylbenzene
IUPAC Name:
trichloromethylbenzene
Details on test material:
- Name of test material (as cited in study report): A,A,A-trichlorotoluene

No further data available

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
2.92
Temp.:
20 °C
pH:
6

Any other information on results incl. tables

The value reported is the preferred value measured as or converted to the neutral form

No more data available

Applicant's summary and conclusion

Conclusions:
This review reports an octanol/water partition coefficient of 2.92 log Pow for benzotrichloride.
Executive summary:

This review reports the octanol/water partition coefficient of benzotrichloride (CAS n° 98-07-7) to be 2.92 log Pow. Further no information is available on the methodology followed.

The study is however considered as reliable with restrictions since the data is obtained from a collection of peer-reviewed data and since this publication is quoted as a reliable with restrictions source of data for octanol/water partition coefficient data in the ECHA guidance on specific endpoint information requirement R7.a.