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Physical & Chemical properties

Partition coefficient

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Administrative data

Link to relevant study record(s)

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
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
Type:
log Pow
Partition coefficient:
ca. -1.301
Temp.:
20 °C
pH:
ca. 4.6
Type:
Pow
Partition coefficient:
ca. 0.05
Temp.:
20 °C
pH:
ca. 4.6

Concentration of the n-octanol phase was relatively high and in the limit of measurement range without dilution. Concentrations in n-octanol phase were calculated by difference on aqueous phase.

Considering that after 48 hours equilibrium was not reached samples were retested after 96 hours when values reached equilibrium. Concentration of mother solution: W1= 0.0401 g / 100 ml = 0.4010 g/l

Ratio o/w Water phase n-octanol phase Pow log Pow Average log Pow
c (g/l) c (g/l)
70 / 30 0.3927 0.0195 0.0496 -1.304572 -1.3046
50 / 50 0.3827 0.0183 0.0479 -1.319915 -1.3199
30 / 70 0.357 0.0188 0.0528 -1.277553 -1.2776
pH of the test solution: 4.6    
Average Pow 0.05008 Average log Pow -1.3007
Std. dev. Pow 0.00249 Std. dev. log Pow 0.02
Conclusions:
Average Pow: -1.3007 at 20 °C and pH 4.60
Average log Pow: 0.05008 at 20 °C and pH 4.60
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 4.60

Average Pow: -1.3007

Average log Pow: 0.05008

Description of key information

-1.3007 at 20 °C and pH 4.6

Key value for chemical safety assessment

Log Kow (Log Pow):
-1.301
at the temperature of:
20 °C

Additional information

Shake flask method - OECD 107