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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:
log Pow
Partition coefficient:
ca. -1.744
Temp.:
20 °C
pH:
ca. 3.05
Details on results:
Concentration of substance in octanol and aqueous phases was determined in duplicate. At 20 °C and pH 3.05, average Pow is 0.0182 and average log Pow is -1.7442.

At 96 h, 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 = 0.0405 g / 100 ml= 0.4050 g/l

ratio o/w water phase n-octanol phase Pow log Pow average log Pow
c (g/l) c (g/l)
70/30 0.4017 0.0076 0.0189 -1.723690 -1.7237
70/30 0.4017 0.0076 0.0189 -1.723690
50/50 0.3969 0.0081 0.0205 -1.688420 -1.6884
50/50 0.3969 0.0081 0.0205 -1.688420
30/70 0.3920 0.0056 0.0142 -1.846904 -1.8204
30/70 0.3904 0.0063 0.0161 -1.793946
pH of test solution 3.05
average Pow 0.0182 average log Pow -1.7442
std. dev. Pow 0.0027 std. dev. log Pow 0.068
Conclusions:
Pow = 0.0182 and log Pow = -1.7442 at 20 °C at pH 3.05.
Executive summary:

Method

Flask shaking method.

Three ratios of n-octanol/test solution were prepared and kept in shake flasks. These were shooked and kept in a thermostatic bath at 20 °C. Solutions were measured in absorbance mode with UV-vis spectrophotometer and the equilibrium values (after 96 h) were considered for final calculations.

Results

Pow = 0.0182 and log Pow = -1.7442 at 20 °C at pH 3.05.

Description of key information

log Kow = -1.7442 at 20 °C and pH 3.05 by shake flask method.

Key value for chemical safety assessment

Log Kow (Log Pow):
-1.744
at the temperature of:
20 °C

Additional information

OECD guideline 107 (1995).