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Physical & Chemical properties

Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
13 - 14 Mar 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: GLP study
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
2004
Deviations:
no
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
4.9
Temp.:
25 °C
Remarks on result:
other: pH has not been provided.

Results:

Name tR k logk log Pow
Thiourea 2.01
(for dead time: t0) 2.01 2.01 average t0=2.01
Trichloroethylene 5.29 1.632 0.213 2.4
5.28 1.627 0.211 2.4
Chlorobenzene 5.7 1.836 0.264 2.8
5.7 1.836 0.264 2.8
Ethylbenzene 7.83 2.896 0.462 3.2
7.83 2.896 0.462 3.2
Isopropylbenzene 10.13 4.04 0.606 3.7
10.13 4.04 0.606 3.7
1,2,4-Trichlorobenzene 12.91 5.423 0.734 4.2
12.91 5.423 0.734 4.2
DDT 43.47 20.627 1.314 6.5
43.37 20.577 1.313 6.5
Test item C6OLF
18.14 8.025 0.904 4.9
18.14 8.025 0.904 4.9

t0: dead time (min.),

te : Retention time (min.),

k (capacity factor) = (te-t0) / t0,

Regression equation of regression line in measurement conditions:

log Pow=3.632 x log k +1.626

Partition coefficient of test item (log Pow):

Measured value: 4.9 / 4.9

Average: 4.9

Discussion:

The average of the measured log Pow values of test item was 4.9 and the difference between two measured values was 0.0.

It is judged that the test results are valid because the difference between two measured values is less than ± 0.1.

Calculation table for partition coefficient by HPLC method:

% k log k log Pow
1-a 2.01 t0 = 2.01
1-b 2.01
2-a 5.29 1.632 0.213 2.4
2-b 5.28 1.627 0.211 2.4
Reference items 3-a 5.7 1.836 0.264 2.8
3-b 5.7 1.836 0.264 2.8
4-a 7.83 2.896 0.462 3.2
4-b 7.83 2.896 0.462 3.2
5-a 10.13 4.04 0.606 3.7
5-b 10.13 4.04 0.606 3.7
6-a 12.91 5.423 0.734 4.2
6-b 12.91 5.423 0.734 4.2
7-a 43.47 20.627 1.314 6.5
7-b 43.47 20.577 1.313 6.5
Test item a 18.14 8.025 0.904 4.9
b 18.14 8.025 0.904 4.9
(a,b : individual samples) average: 4.9

k = (tR - t0) / t0,

t0 : dead time ( average of two measured values ) (min.),

tR: Retention time (min.).

log Pow = 3.632 * log k + 1.626,

R = 0.996.

Reference items:

1 = Thiourea,

2 = Trichloroethylene,

3 = Chlorobenzene,

4 = Ethylbenzene,

5 = Isopropylbenzene,

6 = 1,2,4-Trichlorobenzene,

7 = DDT.

Description of key information

The test substance has a log Pow of 4.9 at 25 °C (OECD 117, HPLC method).

Key value for chemical safety assessment

Log Kow (Log Pow):
4.9
at the temperature of:
25 °C

Additional information