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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:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
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. 0.008
Temp.:
20 °C
pH:
ca. 8.25
Type:
log Pow
Partition coefficient:
ca. -2.109
Temp.:
20 °C
pH:
ca. 8.25

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 = 0.0398 g / 100ml = 0.3980 g/l

Ratio o/w Water phase n-octanol phase Pow log Pow Average log Pow
c (g/l) c (g/l)
70 / 30 0.3957 0.0023 0.0059 -2.23045 -2.1817
70 / 30 0.3951 0.0029 0.0074 -2.1329
50 / 50 0.3945 0.0035 0.0088 -2.05308 -2.0721
50 / 50 0.3948 0.0032 0.0081 -2.09119
30 / 70 0.3945 0.0035 0.0088 -2.05308 -2.0721
30 / 70 0.3948 0.0032 0.0081 -2.09119
pH of the test solution: 8.25
Average Pow 0.0079 Average log Pow -2.1086
Std. dev. Pow 0.0011 Std. dev. log Pow 0.063
Conclusions:
Log Pow = -2.1086 at 20 °C and pH 8.25
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.

Log Pow = -2.1086 at 20 °C

Description of key information

-2.1086  (Pow: 0.0079) at 20 °C and pH 8.25 

Key value for chemical safety assessment

Log Kow (Log Pow):
-2.109
at the temperature of:
20 °C

Additional information

Shake Flask method - OECD 107