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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Study period:
2017-01-16 and 2017-05-23
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Reason / purpose for cross-reference:
reference to other study
Reason / purpose for cross-reference:
reference to other study
Qualifier:
according to guideline
Guideline:
other: OECD Guideline 107 (Partition Coefficient (n-octanol / water), determination from individual solubilities in water and 1-octanol.
Version / remarks:
See also "Guidance on Information Requirements and Chemical Safety Assessment Chapter R.7a:
Endpoint specific guidance" , Version 5 , December 2016, page 65ff.
Deviations:
no
Principles of method if other than guideline:
Early investigations showed that the Shake Flask Method (OECD 107) was not suitable (log Pow = -2 to 4). The HPLC Method (OECD 117) was not suitable either (log Pow = 0 to 6). Hence, and as suggested in OECD Giudeline 107 (27 July 1995), the partition coefficient was determined from the individual solubilites in water and 1-octanol.
GLP compliance:
no
Type of method:
estimation method (solubility ratio)
Partition coefficient type:
octanol-water
Analytical method:
other: not applicable
Key result
Type:
log Pow
Partition coefficient:
4.08 - 5.78
Temp.:
20 °C
Remarks on result:
other: The partition coefficient of the test item was calculated from the individual solubilities in 1-octanol and water at 20°C, respectively.
Details on results:
The water solubility of the test item was determined under the reference 16-05167/1-1 / 17 -00420/1 -1.
Water solubility ranges from 10 μg/L to 500 μg/L.
The 1-octanol solubility of the test item was determined under the reference 16-05167/1-2.
Solubility of the test item in 1-octanol is 5.972 g/L ± 0.0301 g/L.

The Log Pow for N,N'-[(methylimino)bis(trimethylene)]bis(stearamide) is calculated from the individual solubilities in water and 1-octanol, based on the following equitation:

Pow = solubility of test item in 1 -octanol / solubility of test item in water

Pow = 5.972 g/L / 10 μg/L to 5.972 g/L / 500 μg/L

Pow = 597200 to 11944

log Pow = 5.78 to 4.08

Conclusions:
The partition coefficient of N,N'-[(methylimino)bis(trimethylene)]bis(stearamide) was caluculated to be in a range of Log Kow: 4.08 to 5.78.
Executive summary:

The partition coefficient of N,N'-[(methylimino)bis(trimethylene)]bis(stearamide) was calculated from the individual solubilities in 1 -octanol and water at 20°C, respectively.

Water solubility ranges from 10 μg/L to 500 μg/L.

Solubility of the test item in 1-octanol is 5.972 g/L ± 0.0301 g/L.

The log Pow was calculated as: log (Pow) = 4.08 to 5.78.

Description of key information

The partition coefficient of N,N'-[(methylimino)bis(trimethylene)]bis(stearamide) was calculated from the individual solubilities in 1 -octanol and water at 20°C, respectively.

Water solubility ranges from 10 μg/L to 500 μg/L.

Solubility of the test item in 1-octanol is 5.972 g/L ± 0.0301 g/L.

The log Pow was calculated as: log (Pow) = 4.08 to 5.78.

Key value for chemical safety assessment

Log Kow (Log Pow):
5.78
at the temperature of:
20 °C

Additional information

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