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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:
November 30, 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)
Deviations:
no
GLP compliance:
no
Type of method:
flask method
Partition coefficient type:
octanol-water
Analytical method:
photometric method
Type:
Pow
Partition coefficient:
ca. 24.902
Temp.:
20 °C
Remarks on result:
other: pH is not measured for insoluble substance
Type:
log Pow
Partition coefficient:
ca. 1.386
Temp.:
20 °C
Remarks on result:
other: pH is not measured for insoluble substance

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 = 0.0391 g / 100 ml = 0.3910 g/l

Ratio o/w Water phase n-octanol phase Pow log Pow Average log Pow
c (g/l) c (g/l)
70 / 30 0.0159 0.3540 22.31880 -1.348672  1.3487
70 / 30 0.0159 0.3540 22.31880 -1.348672
50 / 50 0.0105 0.3805 36.38460 -1.560918 1.5008
50 / 50 0.0137 0.3773 27.58820 -1.440724
30 / 70 0.0188 0.3830 20.40000 -1.309630 1.3096
30 / 70 0.0188 0.3830 20.40000 -1.309630
pH of the test solution: -
Average Pow 24.902 Average log Pow 1.3864
Std. dev. Pow 6.2101 Std. dev. log Pow 0.101
Conclusions:
log Pow = 1.3864 at 20 °C
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

Average Pow = 24.902 at 20 °C

log Pow = 1.3864 at 20 °C

Description of key information

1.3864 (Pow: 24.902) at 20 °C

Key value for chemical safety assessment

Log Kow (Log Pow):
1.386
at the temperature of:
20 °C

Additional information

Shake Flask method - OECD 107