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Physical & Chemical properties

Partition coefficient

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Administrative data

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
May 04, 2015
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. 0.042
Temp.:
20 °C
pH:
ca. 6.4
Type:
log Pow
Partition coefficient:
ca. -1.388
Temp.:
20 °C
pH:
ca. 6.4

At 96 hours values reached equilibrium, and so these values were considered for final calculations making duplicate determinations of every ratio o/w.

Concentration of mother solution: W1= 0.0413 g/100 ml = 0.4130 g/l

Ratio o/w Water phase n-octanol phase Pow log Pow Average log Pow
Conc. (g/l) Conc. (g/l)
70/30 0.3984 0.0108 0.0272 -1.56596 -1.5026
70/30 0.3968 0.0144 0.0364 -1.43933
50/50 0.3803 0.0227 0.0596 -1.2246 -1.3119
50/50 0.3875 0.0155 0.0399 -1.3991
30/70 0.3649 0.0163 0.0448 -1.34878 -1.3488
30/70 0.3649 0.0163 0.0448 -1.34878
pH of the test solution 6.4
Average Pow 0.0421 Average log Pow -1.3876
Std. dev. Pow 0.0093 Std. dev. log Pow 0.101
Conclusions:
Average Pow: 0.0421 at 20 °C and pH 6.40
Average log Pow: -1.3876 at 20 °C and pH 6.40
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 6.40.

Average Pow: 0.0421

Average log Pow: -1.3876

Description of key information

LogPow = -1.3876 at 20 °C and pH 6.40

Key value for chemical safety assessment

Log Kow (Log Pow):
-1.388
at the temperature of:
20 °C

Additional information

Shake flask method - OECD 107