Octadecanoic acid, reaction products with triethylenetetramine

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

calculation (if not (Q)SAR)

Adequacy of study:

key study

Study period:

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:

Earlier investigations showed, that neither method is suitable to determine the partition coefficient of this substance.
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

Key result

Type:

log Pow

Partition coefficient:

> 5.93

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 solubllity of the test item was determined under the reference 16-03089/1-5:.
Water solubility ranges from < 4.3 μg/L to < 5.8 μg/L (as a formal value the sum of the components < 10.1 μg/L can be given).
The 1-octanol solubility of the test item was determined under the reference 16-03089/1-3:
Solubility of the test item in 1-octanol is 8.503 g/L ± 0.0404 g/L.

The Log Pow for Octadecanoic Acid, reaction products with triethylenetetramine 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 = 8.503 g/L / 10.1μg/L       > 8.503 g/L / 1.01 x 10E-5 g/L                    > 841881.2

log Pow > 5.93

Conclusions:

The partition coefficient of Octadecanoic acid, reaction products with triethylenetetramine was caluculated to be log (Pow) > 5.93.

Executive summary:

The partition coefficient of Octadecanoic acid, reaction products with triethylenetetramine was calculated from the individual solubilities in 1 -octanol and water at 20°C, respectively.

Water solubility ranges from < 4.3 μg/L to < 5.8 μg/L (as a formal value the sum of the components < 10.1 μg/L can be given).

Solubility of the test item in 1-octanol is 8.503 g/L ± 0.0404 g/L.

The log Pow was calculated as: log (Pow) > 5.93.

Description of key information

The partition coefficient of Octadecanoic acid, reaction products with triethylenetetramine was calculated from the individual solubilities in 1 -octanol and water at 20°C, respectively.

Water solubility ranges from < 4.3 μg/L to < 5.8 μg/L (as a formal value the sum of the components < 10.1 μg/L can be given).

Solubility of the test item in 1-octanol is 8.503 g/L ± 0.0404 g/L.

The log Pow was calculated as: log (Pow) > 5.93.

Key value for chemical safety assessment

Log Kow (Log Pow):

5.93

at the temperature of:

20 °C