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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:
February 5, 2016
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)
GLP compliance:
no
Type of method:
flask method
Partition coefficient type:
octanol-water
Analytical method:
photometric method
Key result
Type:
log Pow
Partition coefficient:
-1.706
Temp.:
20 °C
pH:
6.8
Type:
Pow
Partition coefficient:
0.02
Temp.:
20 °C
pH:
6.8

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 = 0.0409 g / 100ml = 0.4090 g/l.

Ratio o/w Water phase c (g/l) n-octanol phase c (g/l) Pow  log Pow Average log Pow
70/30 0.4057 0.0077 0.0190 -1.720159 -1.6713
70/30 0.4049 0.0097 0.0239 -1.622362
50/50 0.4015 0.0075 0.0186 -1.731499 -1.6677
50/50 0.3991 0.0099 0.0249 -1.603866
30/70 0.3933 0.0067 0.0171 -1.765917 -01.7781
30/70 0.3941 0.0064 0.0162 -1.790311

pH of the test solution: 6.80
Average Pow 0.0199 Average log Pow -1.7057
Std. Dev Pow 0.0028 Std. Dev log Pow 0.063
Conclusions:
The average Pow value is 0.0199 and the average log Pow value is -1.7057 at 20 °C and pH = 6.80.
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 pH 6.80.

Average Pow = 0.0199 at 20 °C

logPow = -1.7057 at 20 °C

Description of key information

-1.7057 (Pow= 0.0199) at 20 °C and pH 6.80

Key value for chemical safety assessment

Log Kow (Log Pow):
-1.706
at the temperature of:
20 °C

Additional information

Shake Flask method - OECD 107