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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
March 1-11,2011
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
not specified
GLP compliance:
no
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
1.6
Temp.:
20 °C
pH:
6
Details on results:
No data.

The linear relation of logPow and logk

The logPow values of each standards can be obtained from OECD 117 Partition Coefficient (n-octanoll water), HPLC method.

The determination results of linearity

No

standards

logPow

Retention

time/min

Average value

of retention

time/min

Capacity

Factork

logk

1

Formamide

/

2.265

2.262

0

/

2.258

2

Aniline

0.9

3.220

3.215

0.4216

-0.3751

3.2 10

3

p-Cresol

1.9

4.560

4.551

1.0122

0.0052

4.541

4

2,6-Dichlorobenzonitrile

2.6

7.681

7.666

2.3898

0.3784

7.651

5

Chlorobenzene

2.8

11.006

10.989

3.8589

0.5865

10.971

6

Bromobenzene

3.0

12.659

12.635

4.5868

0.6615

12.610

7

Naphthalene

3.6

17.185

17.149

6.5830

0.8184

17.113

8

Benzyl benzoate

4.0

24.264

24.198

9.6998

0.9868

24.131

 

The graph of the linear relation of log Pow and log K is in the attachment.

The linear equation: y = 2.156x + 1.7427

Coefficient of correlation: 0.9906.

Injection

Retention

time/min

capacityfactork

logk

logPow

Average value

1

4.292

0.8979

-0.0468

1.64

1.6

2

4.294

0.8987

-0.0464

1.64

Conclusions:
The partition coefficient log Pow of α,α,α',α'-tetramethyl-m-xylene-α,α'-diol is 1.6.
Executive summary:

Very well documented study according to OECD guideline.

The partition coefficient log Pow of α,α,α',α'-tetramethyl-m-xylene-α,α'-diol is 1.6.

Description of key information

The partition coefficient log Pow of α,α,α',α'-tetramethyl-m-xylene-α,α'-diol is 1.6.

Key value for chemical safety assessment

Log Kow (Log Pow):
1.6
at the temperature of:
20 °C

Additional information