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Partition coefficient

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partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
equivalent or similar to guideline
other: OECD Guideline 105, flask method
GLP compliance:
Type of method:
estimation method (solubility ratio)
Partition coefficient type:
Analytical method:
high-performance liquid chromatography
Key result
log Pow
Partition coefficient:
20 °C
Remarks on result:
other: pH value of the filtrated aqueous phases
Details on results:
Using the Rekker calculation method, the Pow for the organic part of the test substance was calculated to be 2.4 x 10-1 (logPow = -0.61).

Using the estimation method, the n-octanol solubility of the test substance at 19.5 +/- 1.0°C is 2.65 x 10-3 g/L, using the flask method.
The partition coefficient n-octanol water, calculated as the quotient of the n-octanol solubility and the water solubility of the test substance, is between 8.83 x 10-4 and 1.06 x 10-3 (logPow between -3.0 and -3.1)

Because the estimation method is considered more representative for environmental conditions, the result of the Estimation method is reported as the partition coefficient (n-octanol/water) of the test substance.

RE-Calculation with the re-tested water solubilty (updated 2020)

The water solubility was re-tested accordingly to the OECD Guideline 105, flask method corresponding to the study,BASF, 09S01413, 2010. Details refers to the endpoint 4.8.

Estimation of log Pow:

water solubiltiy: 3.9 g/L at 20°C, pH 3.5

n-octanol solubility: 2.65 mg/L at 20°C

Pow= c(n-octanol) / c( water)= 2.65 mg/L / 3900 mg/L= 6.795

Log Pow= -3.17

The partiton coefficient of test sbustance was calculated to be log Pow= -3.1 at 20°C

Description of key information

Calculated value based on solubility ratio:

log Pow= -3.17 at 20°C

Key value for chemical safety assessment

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

Additional information

The test substance is an organic phosphate salt.Therefore, the partiion coefficient was calculated as a quotient of n-octanol solubility and the water solubility of test item.