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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:
June 13, 2014
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)
Deviations:
no
GLP compliance:
no
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water
Analytical method:
other: UV-Vis spectrophotometer
Type:
Pow
Partition coefficient:
ca. 7.102
Temp.:
20 °C
pH:
ca. 3.58
Type:
log Pow
Partition coefficient:
ca. 0.835
Temp.:
20 °C
pH:
ca. 3.58

RESULTS

Ratio o/w Water phase n-octanol phase Pow log Pow Average log Pow
c (g/l) c (g/l)
70 / 30 0.0803 0.5548 6.9097 0.9626 0.9626
70 / 30 0.0803 0.5548 6.9097 0.9626
50 / 50 0.0469 0.284 6.0532 0.8717 0.8717
50 / 50 0.0469 0.284 6.0532 0.8717
30 / 70 0.0332 0.1273 3.839 0.6711 0.6711
30 / 70 0.0332 0.1273 3.839 0.6711
pH of the test solution: 3.58  
Average Pow 7.1019   Average log Pow 0.8351
Std. dev. Pow 2.2622 Std. dev. log Pow 0.149
Conclusions:
LogPow = 0.8351
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 at pH of 3.58.

The average Pow is 7.1019

The average logPow is 0.8351

Description of key information

LogPow = 0.8351 at 20 °C and at pH of 3.58.

Key value for chemical safety assessment

Log Kow (Log Pow):
0.835
at the temperature of:
20 °C

Additional information

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.

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