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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
other: read across
Adequacy of study:
supporting study
Study period:
July 30, 2015
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study
Remarks:
Study conducted according to internationally accepted testing guidelines. Although the values recorded are outside of the applicability domain for the test method, the rusults can be considered as reliable and representative for the tested substance. The study outcomes are indicative of a high affinity with the water phase, respect than the octanol one.
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
GLP compliance:
no
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water
Analytical method:
photometric method
Type:
Pow
Partition coefficient:
0.003
Temp.:
20 °C
pH:
7.68
Type:
log Pow
Partition coefficient:
-2.525
Temp.:
20 °C
pH:
7.68

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

Concentration of mother solution: W1 = 0.0401 g / 100 ml = 0.4010 g/l

Ratio o/w Water phase n-octanol phase Pow log Pow
Conc. (g/l) Conc. (g/l)
70/30 0.4005 0.0012 0.0029 - 2.539972
70/30 0.4005 0.0012 0.0029 - 2.539972
50/50 0.4000 0.0010 0.0025 - 2.533972
50/50 0.4000 0.0010 0.0025 - 2.539972
30/70 0.3980 0.0013 0.0032 - 2.495082
30/70 0.3980 0.0013 0.0032 - 2.495082
pH of the test solution 7.68
Average Pow 0.0029 SD: 0.0004
Average log Pow -2.5250 SD: 0.030
Conclusions:
log Pow: -2.525 at 20 °C and at pH of 7.68
Executive summary:

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.

Study conducted at 20 °C and at pH of 7.68.

Average Pow: 0.0029 (SD: 0.0004)

Average log Pow: -2.525 (SD: 0.030)

Conclusion

log Pow: -2.525 at 20 °C and at pH of 7.68

Description of key information

Average log Pow: -2.5250, at 20 °C and pH 7.68

Key value for chemical safety assessment

Additional information

Shake flask method - OECD 107