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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
Justification for type of information:
1. SOFTWARE
EPI (Estimation Programs Interface) Suite

2. MODEL (incl. version number)
KOWWIN v. 1.68
Reference:
Composition 0
Qualifier:
no guideline required
Principles of method if other than guideline:
- Software tool used: EPI (Estimation Programs Interface) Suite
- Model used: KOWWIN v. 1.68
GLP compliance:
no
Type of method:
calculation method (fragments)
Partition coefficient type:
octanol-water
Test material information:
Composition 1
Key result
Type:
log Pow
Partition coefficient:
-0.26
Remarks on result:
other: KOWWIN v1.68 estimate
Type:
log Pow
Partition coefficient:
-0.29
Remarks on result:
other: Exper. database match
Conclusions:
The partition coefficient of glutaric acid is -0.26 Log Kow using KOWWIN v1.68, and -0.29 Log Kow using Exper. database match.
Executive summary:

The partition coefficient of glutaric acid was calculated using EPISuite. The partition coefficient was found to be -0.26 Log Kow using KOWWIN v1.68, and -0.29 Log Kow using Exper. database match.

Description of key information

The partition coefficient of glutaric acid was calculated using EPISuite. The partition coefficient was found to be -0.26 Log Kow using KOWWIN v1.68, and -0.29 Log Kow using Exper. database match.

Key value for chemical safety assessment

Log Kow (Log Pow):
-0.26
at the temperature of:
25 °C

Additional information