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Physical & Chemical properties

Partition coefficient

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Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
5-9 Dec 2011
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 123 (Partition Coefficient (1-Octanol / Water), Slow-Stirring Method)
Deviations:
yes
Remarks:
end detection by ISO 2271 for the anionic surfactant
Principles of method if other than guideline:
Literature: D. Miller; Tenside, Surf. Det. 47 (2010), 28-33: Octanol-Water Partition Coefficients of Surfactants: Slow Stirring / Surface Tension Method.
GLP compliance:
no
Type of method:
slow-stirring method
Partition coefficient type:
octanol-water
Analytical method:
other: titration
Type:
log Pow
Partition coefficient:
1
Temp.:
23 °C
pH:
>= 6 - <= 7

Results of 3 determinations:

Quantity, unit

Determination 1

Determination 2

Determination 3

Temperature, °C

23

23

23

Stirring velocity, r/min

100

100

100

Volume of Erlenm. flask, mL

250

250

250

Amount of test subst., mg

345

105

201

Concentration of active

matter in test subst., g/100 g

94.4

94.4

94.4

Volume of water, mL

200

100

50

pH value of water layer

7.2

7.4

6.8

Volume of octanol, mL

20

20

100

Duration of stirring, hrs

24

24

24

Molecular weight of test subst.,

g/mol

439

439

439

Concentration of titrant

(Hyamine), mol/L

0.004

0.004

0.004

Factor of titrant (Hyamine)

0.979

0.979

0.979

Used volume of octanol layer

for titration, mL

1

1

5

Consumption of titration

of octanol layer, mL

3.98

1.84

4.46

Amount of test subst. in octanol

layer, mg

136.84

63.26

153.35

Concentration of test subst.

in octanol layer, g/L

6.84

3.16

1.53

Used volume of aqueous layer

for titration, mL

10

20

10

Consumption of titration

of aqueous layer, mL

4.64

3.50

1.07

Amount of test subst. in aqueous

layer, mg

159.53

30.08

9.20

Concentration of test subst.

in aqueous layer, g/L

0.80

0.30

0.18

Total amount of test subst.

recovered, mg

296.38

93.35

162.54

Recovery rate, %

91

94

86

Measured concentration

in octanol layer, mmol/L

15.59

7.21

3.49

Measured concentration

in aqueous layer, mmol/L

1.82

0.69

0.42

Log Pow

0.9

1.0

0.9

Log Pow mean value

1.0

Description of key information

log Pow = 1.0 at 23 °C, pH 6-7

Key value for chemical safety assessment

Log Kow (Log Pow):
1
at the temperature of:
23 °C

Additional information

The partition coefficient of the substance was determined using slow stirring method according to OECD 123.