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Physical & Chemical properties

Partition coefficient

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
10 November 2017 to 14 November 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask 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:
-0.3
Temp.:
20.1 °C
pH:
>= 3.58 - <= 3.62

Concentration of the stock solution in n-octanol saturated with water

Medium

Nominal conc. of analyte

Determined conc. of analyte

Recovery

 

[mg/L]

[mg/L]

[%]

n-octanol

1001

989

98.9

Data for POWdetermination

Ratio

water/ octanol

No.

Determined conc. of analyte in water phase

Determined conc. of analyte in octanol phase

Pow

log Pow

Meanlog 

Pow

Overall Mean

log 

Pow

pH value of water phase

 

 

[mg/L]

[mg/L]

 

 

 

 

 

1/1

1

664.0

329.9

0.4968

-0.30

- 0.31

 

3.62

 

2

667.6

330.6

0.4952

-0.31

 

 

3.61

2/1

1

776.8

435.2

0.5602

-0.25

- 0.25-

- 0.30

3.58

 

2

773.9

430.5

0.5563

-0.25

 

 

3.58

1/2

1

515.6

238.0

0.4616

-0.34

- 0.34

 

3.61

 

2

517.1

243.2

0.4703

-0.33

 

 

3.60

Mass Balance for POWdetermination

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

39.56

26.56

13.20

39.76

100.5

 

2

40

40

 

26.70

13.22

39.92

100.9

2/1

1

50

25

49.45

38.84

10.88

49.72

100.5

 

2

50

25

 

38.70

10.76

49.46

100.0

1/2

1

25

50

24.73

12.89

11.90

24.79

100.2

 

2

25

50

 

12.93

12.16

25.09

101.5

 

Conclusions:
The logPow of the substance is -0.30
Executive summary:

In a flask test the substance's logPow was determined to be -0.30 at 20.1°C .

Medium

log POW

 

Standard Deviation

water/octanol

-0.3

±

0.04

 

Description of key information

The logPow of the substance is -0.30 at 20 °C.

Key value for chemical safety assessment

Log Kow (Log Pow):
-0.3
at the temperature of:
20

Additional information