3,4-dichloro-α,α,α-trifluorotoluene

Partition coefficient

Administrative data

Endpoint:

partition coefficient

Type of information:

calculation (if not (Q)SAR)

Remarks:

Migrated phrase: estimated by calculation

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Data source

Reference

Reference Type:

secondary source

Title:

No information

Year:

2013

Bibliographic source:

ChemSpider data base

Materials and methods

Principles of method if other than guideline:

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite

GLP compliance:

no

Partition coefficient type:

octanol-water

Test material

Test material information

Constituent 1

Reference substance name:

3,4-dichloro-α,α,α-trifluorotoluene

EC Number:

206-337-1

EC Name:

3,4-dichloro-α,α,α-trifluorotoluene

Cas Number:

328-84-7

Molecular formula:

C7H3Cl2F3

IUPAC Name:

1,2-dichloro-4-(trifluoromethyl)benzene

Results and discussion

Partition coefficient

Type:

log Pow

Partition coefficient:

3.88

Remarks on result:

other: at pH 5.5 and 7.4

Applicant's summary and conclusion

Conclusions:

The logPow is predicted to be 3.88.