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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
other: handbook data
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Qualifier:
no guideline followed
Principles of method if other than guideline:
The reported logPow was reported in: Exploring QSAR. Hydrophobic, Electronic, and Steric Constants, Hansch et al., 1995. In this publication the measured logPow values of various substances were compared to the respective value calculated by QSAR. QSAR calculations with ionic structures are outside the applicability domain of the QSAR method, thus, the calculation was perfomed with glycine.
GLP compliance:
no
Type of method:
calculation method (fragments)
Partition coefficient type:
octanol-water
Key result
Type:
log Pow
Partition coefficient:
-3.21
Temp.:
25 °C
Remarks on result:
other: pH was not reported
Conclusions:
According to the published results from Hansch et al. 1995, who compared the measured logPow values of various substances with the respective calculated values. For glycine a logPow of -3.21 at 25 °C was reported.
Executive summary:

The reported logPow was reported in: Exploring QSAR. Hydrophobic, Electronic, and Steric Constants, Hansch et al., 1995. In this publication the measured logPow values of various substances were compared to the respective value calculated by QSAR. QSAR calculations with ionic structures are outside the applicability domain of the QSAR method, thus, the calculation was perfomed with glycine,which is the organic constituent of Bis(glycinato-N,O)zinc.

For glycine a logPow of -3.21 at 25 °C was reported.

Description of key information

The reported logPow was reported in: Exploring QSAR. Hydrophobic, Electronic, and Steric Constants, Hansch et al., 1995. In this publication the measured logPow values of various substances were compared to the respective value calculated by QSAR. QSAR calculations with ionic structures are outside the applicability domain of the QSAR method, thus, the calculation was perfomed with glycine,which is the organic constituent of zinc monoglycinate sulfate.


For glycine a logPow of -3.21 at 25 °C was reported.

Key value for chemical safety assessment

Log Kow (Log Pow):
-3.21
at the temperature of:
25 °C

Additional information