3-chloro-α,α,α-trifluorotoluene

Partition coefficient

Administrative data

Endpoint:

partition coefficient

Type of information:

(Q)SAR

Adequacy of study:

other information

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Materials and methods

Principles of method if other than guideline:

KOWWIN v1.67 estimate

GLP compliance:

no

Type of method:

calculation method (fragments)

Remarks:

KOWWIN v1.67 estimate

Test material

Test material information

Constituent 1

Reference substance name:

3-chloro-α,α,α-trifluorotoluene

EC Number:

202-642-9

EC Name:

3-chloro-α,α,α-trifluorotoluene

Cas Number:

98-15-7

Molecular formula:

C7H4ClF3

IUPAC Name:

1-chloro-3-(trifluoromethyl)benzene

Test material form:

liquid

Results and discussion

Partition coefficient

Key result

Type:

log Pow

Partition coefficient:

3.6

Temp.:

25 °C

Remarks on result:

other: QSAR

Applicant's summary and conclusion

Conclusions:

The Log Kow of 3-Chlorobenzotrifluoride has been calculated to be 3.60 at 25°C.