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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:
April 28, 2015
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)
GLP compliance:
no
Type of method:
flask method
Partition coefficient type:
octanol-water
Analytical method:
photometric method
Type:
Pow
Partition coefficient:
ca. 0.133
Temp.:
20 °C
pH:
ca. 6.12
Type:
log Pow
Partition coefficient:
ca. -0.882
Temp.:
20 °C
pH:
ca. 6.12

At 96 hours values reached equilibrium, and so this value was considered for final calculations making duplicate determinations of every ratio o/w.

Concentration of mother solution: W1 = 0.0402 g / 100ml = 0.4020 g/l.

Ratio o/w Water phase n-octanol phase Pow log Pow Average log Pow
c (g/l) c (g/l)
70 / 30 0.3804 0.0504 0.13250 -0.877750 -0.8778
70 / 30 0.3804 0.0504 0.13250 -0.877750
50 / 50 0.3438 0.0582 0.16940 -0.771089 -0.8104
50 / 50 0.3522 0.0498 0.14130 -0.849755
30 / 70 0.3203 0.0350 0.10930 -0.961212 -0.9581
30 / 70 0.3193 0.0354 0.11090 -0.954973
pH of the test solution: 6.12
Average Pow 0.1327 Average log Pow -0.8821
Std. dev. Pow 0.0226 Std. dev. log Pow 0.074
Conclusions:
Log Pow = -0.8821
Executive summary:

Method:


Partition coefficient was determined by means of shake flask method as per recommendations of OECD 107. Partition coefficient (P) is defined as the ratio of the equilibrium concentrations of a dissolved substance in a two-phase system consisting in two largely immiscible solvents.


Result:


Study conducted at 20°C and pH 6.73.


Average Pow = 0.0036


Average logPow = -2.4509

Description of key information

Shake Flask method - OECD guideline 107 = -0.8821 (Pow: 0.1327) at 20°C and pH 6.12

Key value for chemical safety assessment

Log Kow (Log Pow):
-0.882
at the temperature of:
20 °C

Additional information