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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:
December 23, 2016
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
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. 33.903
Temp.:
20 °C
Remarks on result:
other: pH not estimated
Type:
log Pow
Partition coefficient:
ca. 1.527
Temp.:
20 °C
Remarks on result:
other: pH not estimated

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: W 1  = 0.0111 g / 100ml = 0.1110 g/l

Ratio o/w Water phase n-octanol phase Pow log Pow Average log Pow
c (g/l) c (g/l)
70 / 30 0.0004 0.0126 29.23260 1.465867 1.4659
70 / 30 0.0004 0.0126 29.23260 1.465867
50 / 50 0.0004 0.0126 33.66670 1.52720 1.5272
50 / 50 0.0004 0.0126 33.66670 1.52720
30 / 70 0.0003 0.0127 36.68120 1.564443 1.5883
30 / 70 0.0003 0.0127 40.93550 1.6121
pH of the test solution: n.a
Average Pow 33.9025 Average log Pow 1.527
Std. dev. Pow 4.7922 Std. dev. log Pow 0.061
Conclusions:
Average Pow = 33.9025 (20 °C), log Pow = 1.527 (20 °C)
Executive summary:

Method

Partition coefficient was determined by means of shake flask method, following OECD guideline 107. Partition coefficient 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

Average Pow = 33.9025 at 20 °C

Log Pow = 1.527 at 20 °C

Description of key information

1.527 (Pow: 33.9025) at 20 °C

Key value for chemical safety assessment

Log Kow (Log Pow):
1.527
at the temperature of:
20 °C

Additional information

Shake Flask method - OECD guideline 107.