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Physical & Chemical properties

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:
KOWWIN v.1.68; part of: Estimation Programs Interface (EPI) Suite TM
Key result
Type:
log Pow
Partition coefficient:
13.17
Temp.:
25 °C
pH:
7
Conclusions:
Calculation of partition coefficient with EPI SUITE, KOWWIN v.1.68: 13.17
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 hexadecanoic anhydride and hexadecanoic acid, hexadecanoic anhydride was used for the read-across.
Calculation of partition coefficient is performed with EPI SUITE, KOWWIN v.1.68, accepted estimation method from ECHA Guidelines.
Reason / purpose:
read-across source
Principles of method if other than guideline:
KOWWIN v.1.68; part of: Estimation Programs Interface (EPI) Suite TM
Key result
Type:
log Pow
Partition coefficient:
13.17
Temp.:
25 °C
pH:
7
Conclusions:
Calculation of partition coefficient with EPI SUITE, KOWWIN v.1.68: 13.17
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:
KOWWIN v.1.68; part of: Estimation Programs Interface (EPI) Suite TM
Key result
Type:
log Pow
Partition coefficient:
7.17
Temp.:
25 °C
pH:
7
Conclusions:
Calculation of partition coefficient with EPI SUITE, KOWWIN v.1.68: 7.17
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 hexadecanoic anhydride and hexadecanoic acid, hexadecanoic acid was used for the read-across.
Calculation of partition coefficient is performed with EPI SUITE, KOWWIN v.1.68, accepted estimation method from ECHA Guidelines.
Reason / purpose:
read-across source
Principles of method if other than guideline:
KOWWIN v.1.68; part of: Estimation Programs Interface (EPI) Suite TM
Key result
Type:
log Pow
Partition coefficient:
7.17
Temp.:
25 °C
pH:
7
Conclusions:
Calculation of partition coefficient with EPI SUITE, KOWWIN v.1.68: 7.17

Description of key information

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

Calculation for partition coefficient with software tool KOWWIN v.1.68 for hexadecanoic anhydride : 13.17

Calculation for partition coefficient with software tool KOWWIN v.1.68

for hexadecanoic acid: 7.17

The partition coefficient of the test item should be between 7.17 and 13.17

Key value for chemical safety assessment

Additional information