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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:
11 January 2018 to 18 January 2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
-0.27
Temp.:
20 °C
pH:
>= 4.42 - <= 4.52
Details on results:
recovery in stock solution in water saturated with n-octanol is 97.1%

Data for POW determination

Ratio

water/ octanol

No.

Determined conc. of analyte in water phase

Determined conc. of analyte in octanol phase

Pow

log Pow

Mean log Pow

Overall Mean log Pow

pH value of water phase

 

 

[mg/L]

[mg/L]

 

 

 

 

 

1/1

1

31.89

17.66

0.5538

-0.26

- 0.26

 

4.43

 

2

31.93

17.60

0.5512

-0.26

 

 

4.42

2/1

1

37.57

24.24

0.6452

-0.19

- 0.20-

- 0.27

4.46

 

2

37.63

23.91

0.6354

-0.20

 

 

4.42

1/2

1

26.10

11.91

0.4563

-0.34

- 0.35

 

4.51

 

2

26.28

11.87

0.4517

-0.35

 

 

4.52

Mass Balance for POW determination

Ratio

No.

Water

n-octanol

Nominal total amount in vessel

Determined amount (water phase)

Determined amount (n‑Octanol phase)

Determined total amount in vessel

Mass balance

water/n-octanol

 

[mL]

[mL]

[mg]

[mg]

[mg]

[mg]

[%]

1/1

1

40

40

19.57

12.76

7.06

19.82

101.3

 

2

40

40

 

12.77

7.04

19.81

101.2

2/1

1

50

25

24.46

18.79

6.06

24.85

101.6

 

2

50

25

 

18.82

5.98

24.80

101.4

1/2

1

25

50

12.23

6.53

5.96

12.49

102.1

 

2

25

50

 

6.57

5.94

12.51

102.3

Conclusions:
The logPow of the substance is -0.27
Executive summary:

Using the flask method the logPow of the substance was calculated to be -0.27.

Description of key information

Using the flask method the logPow of the substance was calculated to be -0.27.

Key value for chemical safety assessment

Log Kow (Log Pow):
-0.27
at the temperature of:
20 °C

Additional information