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Physical & Chemical properties

Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
Principles of method if other than guideline:
The partition coefficient is estimate from the solubiliy of the substance in methanol and in water:

P estimate = saturation in n-octanol/ saturation in water
GLP compliance:
no
Type of method:
other: estimated by calculation
Partition coefficient type:
octanol-water
Key result
Type:
Pow
Partition coefficient:
<= 0
Temp.:
22 °C
pH:
>= 7.4 - <= 7.5
Type:
log Pow
Partition coefficient:
<= -3.3
Temp.:
22 °C
pH:
>= 7.4 - <= 7.5

It is not possible to define an active substance therefore a sperimental method to calcultate the partition coefficient can not be performed.

In accordance with Column 2 of REACH Annex VII, the partition coefficient (required in section 7.8) could be estimated from the solubility results, therefore:

Pow (estimate) = Coctanol / Cwater = 250.6 / 500,000 = 5.0 E -04

LogPow = Log (5.0 E-04) = -3.3

where

Coctanol: < 250.6 mg/L [from section 4.9 the solubility in methanol is 250.6 mg/L. Due the higher polarity of methanol versus n-octanol the real value is minor than 250.6 mg/L]

Cwater: >500,000 mg/L [from section 4.8]

Due the considaration above the calculate value will overestimate the real value.

Description of key information

Key value for chemical safety assessment

Log Kow (Log Pow):
-3.3
at the temperature of:
22 °C

Additional information