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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:
April 22, 2016
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study
Remarks:
The test was conducted by means of Read Across approach. The reliability of the source study report is 1. Further information was attached at section 13
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
not specified
GLP compliance:
no
Type of method:
flask method
Partition coefficient type:
octanol-water
Analytical method:
photometric method
Type:
Pow
Partition coefficient:
ca. 3.018
Temp.:
20 °C
pH:
ca. 6.57
Type:
log Pow
Partition coefficient:
ca. 0.479
Temp.:
20 °C
pH:
ca. 6.57

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 = 0.0409 g / 100ml = 0.4090 g/l

Ratio o/w Water phase n-octanol phase Pow log Pow Average log Pow
c (g/l) c (g/l)
70 / 30 0.1842 0.5245 2.8467 0.454337 0.4596
70 / 30 0.1818 0.5302 2.9167 0.464887
50 / 50 0.0983 0.3107 3.1625 0.500031 0.5109
50 / 50 0.0946 0.3144 3.3247 0.521749
30 / 70 0.0528 0.1527 2.8904 0.460953 0.4668
30 / 70 0.0516 0.1532 2.9694 0.472667
pH of the test solution: 6.57
Average Pow 3.0184 Average log Pow 0.4791
Std. dev. Pow 0.1965 Std. dev. log Pow 0.028
Conclusions:
Pow = 3.0184 at 20 °C and pH 6.57
Log Pow = 0.4791 at 20 °C and pH 6.57
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 6.16.

Average Pow = 3.0184 at 20 °C

Log Pow = 0.4791 at 20 °C

Description of key information

0.4791 (Pow: 3.0184) at 20 °C and pH 6.57

Key value for chemical safety assessment

Log Kow (Log Pow):
0.479
at the temperature of:
20 °C

Additional information