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Partition coefficient

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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:
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:
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