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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:
January 27, 2016
Reliability:
2 (reliable with restrictions)
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. 38.328
Temp.:
20 °C
Remarks on result:
other: pH was not determined
Type:
log Pow
Partition coefficient:
ca. 1.576
Temp.:
20 °C
Remarks on result:
other: pH was not determined

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: W1 = 0.0403 g / 100ml = 0.4030 g/l

Ratio o/w Water phase n-octanol phase Pow log Pow Average log Pow
c (g/l) c (g/l)
70 / 30 0.0081 0.384 47.1771 1.673731 1.6533
70 / 30 0.0089 0.3822 42.9333 1.632795
50 / 50 0.0101 0.3929 38.9412 1.590409 1.5904
50 / 50 0.0101 0.3929 38.9412 1.590409
30 / 70 0.0152 0.3965 26.026 1.415407 1.4855
30 / 70 0.0111 0.3983 35.9464 1.555656
pH of the test solution: -
Average Pow 38.3275 Average log Pow 1.5764
Std. dev. Pow 7.0545 Std. dev. log Pow 0.085
Conclusions:
Average Pow = 38.3275 20 °C
Log Pow = 1.5764 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

Study conducted at 20 °C

Average Pow = 38.3275

logPow = 1.5764

Description of key information

1.5764 (Pow: 38.3275) at 20 °C

Key value for chemical safety assessment

Log Kow (Log Pow):
1.576
at the temperature of:
20 °C

Additional information

Shake Flask method - OECD 107