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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Version / remarks:
1995
GLP compliance:
no
Type of method:
flask method
Partition coefficient type:
octanol-water
Analytical method:
photometric method
Type:
Pow
Partition coefficient:
ca. 0.04
Temp.:
20 °C
Remarks on result:
other: no pH measured
Type:
log Pow
Partition coefficient:
ca. -1.397
Temp.:
20 °C
Remarks on result:
other: no pH measured

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 = 0.0408 g / 100 ml = 0.4080 g/l

Ratio o/w Water phase n-octanol phase Pow log Pow Average log Pow
c (g/l) c (g/l)
70 / 30 0.1720

0.0068

0.0393

-1.4053

-1.4053

70 / 30

0.1720

0.0068

0.0393

-1.4053

50 / 50

0.3924

0.0156

0.0397

-1.4018

-1.4018

50 / 50

0.3924

0.0156

0.0397

-1.4018

30 / 70

0.8683

0.0359

0.0413

-1.3842

-1.3842

30 / 70

0.8683

0.0359

0.0413

-1.3842

pH of the test solution:

n.a.

Average Pow

0.0401

Average log Pow

-1.3971

Std. dev. Pow

0.0010

Std. dev. log Pow

0.011

Conclusions:
Average Pow: 0.0401 at 20 °C
Average log Pow: -1.3971 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, i.e. n-octanol and water.

Result

Study conducted at 20 °C; no pH measured.

Average Pow: 0.0401.

Average log Pow: -1.3971.

Description of key information

-1.3971 (Pow: 0.0401) at 20 °C.

Key value for chemical safety assessment

Log Kow (Log Pow):
-1.397
at the temperature of:
20 °C

Additional information

Shake flask method, OECD guideline 107.