Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Physical & Chemical properties

Partition coefficient

Currently viewing:

Administrative data

Link to relevant study record(s)

Referenceopen allclose all

Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Calculation of partition coefficient is performed with EPI SUITE, KOWWIN v.1.68, accepted estimation method from ECHA Guidelines.
Principles of method if other than guideline:
EPI SUITE, KOWWIN v.1.68
Key result
Type:
log Pow
Partition coefficient:
11.21
Temp.:
25 °C
pH:
7
Conclusions:
Calculation of partition coefficient with EPI SUITE, KOWWIN v.1.68: 11.21
Endpoint:
partition coefficient
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Since the test item is a reaction mass of tetradecanoic anhydride and tetradecanoic acid, tetradecanoic anhydride was used for the read-across.
Reason / purpose for cross-reference:
read-across source
Principles of method if other than guideline:
EPI SUITE, KOWWIN v.1.68
Key result
Type:
log Pow
Partition coefficient:
11.21
Temp.:
25 °C
pH:
7
Conclusions:
Calculation of partition coefficient with EPI SUITE, KOWWIN v.1.68: 11.21
Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Calculation of partition coefficient is performed with EPI SUITE, KOWWIN v.1.68, accepted estimation method from ECHA Guidelines.
Principles of method if other than guideline:
EPI SUITE, KOWWIN v.1.68
Key result
Type:
log Pow
Partition coefficient:
6.11
Temp.:
25 °C
pH:
7
Conclusions:
Calculation of partition coefficient with EPI SUITE, KOWWIN v.1.68: 6.11
Endpoint:
partition coefficient
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Since the test item is a reaction mass of tetradecanoic anhydride and tetradecanoic acid, tetradecanoic acid was used for the read-across.
Reason / purpose for cross-reference:
read-across source
Principles of method if other than guideline:
EPI SUITE, KOWWIN v.1.68
Key result
Type:
log Pow
Partition coefficient:
6.11
Temp.:
25 °C
pH:
7
Conclusions:
Calculation of partition coefficient with EPI SUITE, KOWWIN v.1.68: 6.11

Description of key information

Since the test item is a reaction mass of tetradecanoic anhydride and tetradecanoic acid, tetradecanoic anhydride and tetradecanoic acid were used for the read-across.

Calculation for partition coefficient with software tool KOWWIN v.1.68 for tetradecanoic anhydride : 11.21

Calculation for partition coefficient with software tool KOWWIN v.1.68

for tetradecanoic acid: 6.11

The partition coefficient of the test item should be between 6.11 and 11.21

Key value for chemical safety assessment

at the temperature of:
25 °C

Additional information