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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

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Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2017
Report date:
2017

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
GLP compliance:
no
Other quality assurance:
ISO/IEC 17025 (General requirements for the competence of testing and calibration laboratories)
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
1,3-difluorobenzene
EC Number:
206-746-5
EC Name:
1,3-difluorobenzene
Cas Number:
372-18-9
Molecular formula:
C6H4F2
IUPAC Name:
1,3-difluorobenzene

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
2.52
Temp.:
25 °C
pH:
6.5

Any other information on results incl. tables

 

No.

standards

logPow

Retention time

/min

Average value of

retention time/min

capacity factor

k

logk

1

Formamide

/

2.133 

2.133 

0 

/

 

 

 

 

 

 

2.133 

2

Acetanilide

1.0 

2.619 

2.619 

0.2278 

-0.6424 

 

 

 

 

 

 

2.619 

3

Phenol

1.5 

2.823 

2.825 

0.3242 

-0.4892 

 

 

 

 

 

 

2.826 

4

2-Nitrophenol

1.8

3.596 

3.596 

0.6859 

-0.1637 

 

 

 

 

 

 

3.596 

5

Anisole

2.1 

4.486 

4.486 

1.1031 

0.0426 

 

 

 

 

 

 

4.486 

6

Toluene

2.7 

6.283 

6.283 

1.9456 

0.2891 

 

 

 

 

 

 

6.283 

7

Bromobenzene

3.0 

6.673 

6.671 

2.1275 

0.3279 

 

 

 

 

 

 

6.669 

8

Naphthalene

3.6 

7.463 

7.461 

2.4979 

0.3976 

 

 

 

 

 

 

7.459 

Injection

Retention time/min

capacity factor k

log k

log Pow

Average value

1

4.809

1.2546 

0.0985 

2.52 

2.5

 

2

4.809

1.2546 

0.0985 

2.52 

Applicant's summary and conclusion

Conclusions:
log Pow = 2.5