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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 28, 2016
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Reference:
Composition 0
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
Test material information:
Composition 1
Analytical method:
photometric method
Type:
Pow
Partition coefficient:
ca. 1.1
Temp.:
20 °C
pH:
ca. 7.28
Type:
log Pow
Partition coefficient:
ca. 0.04
Temp.:
20 °C
pH:
ca. 7.28

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 = 0.0392 g / 100ml = 0.3920 g/l

Ratio o/w Water phase n-octanol phase Pow log Pow Average log Pow
c (g/l) c (g/l)
70 / 30 0.2756 0.2716 0.98540 -0.006405 -0.0139
70 / 30 0.2784 0.2651 0.95210 -0.021335
50 / 50 0.1844 0.2076 1.12630 0.051640 0.0599
50 / 50 0.1806 0.2114 1.17010 0.068224
30 / 70 0.1052 0.1229 1.16810 0.067495 0.0728
30 / 70 0.1034 0.1237 1.19690 0.078062
pH of the test solution: 7.28
Average Pow 1.0998 Average log Pow 0.0396
Std. dev. Pow 0.1148 Std. dev. log Pow 0.047
Conclusions:
Log Pow = 0.0396 (20 °C; pH 7.28)
Executive summary:

Method

Partition coefficient was determined by means of shake flask method as per recommendations of OECD guideline 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 pH 7.28

Pow = 1.0998

logPow = 0.0396

Description of key information

0.0396 (Pow: 1.0998) at 20 °C and pH 7.28

Key value for chemical safety assessment

Log Kow (Log Pow):
0.04
at the temperature of:
20 °C

Additional information

Shake Flask method - OECD guideline 107