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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)
Rationale for reliability incl. deficiencies:
other: Internationally accepted method, EPI-Suite, EPA (USA)

Data source

Materials and methods

Principles of method if other than guideline:
QSAR Application Toolbox v1.1: KOWWIN v1.67
Type of method:
other: estimated data
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
2-(trifluoromethyl)benzenesulfonyl chloride
EC Number:
700-328-0
Cas Number:
776-04-5
Molecular formula:
C7H4ClF3O2S
IUPAC Name:
2-(trifluoromethyl)benzenesulfonyl chloride

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
3.9

Applicant's summary and conclusion

Conclusions:
Log Kow EPISUITE = 3.9 (QSAR Application Toolbox v1.1: KOWWIN v1.67)

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