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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 adequate and reliable documentation / justification
Remarks:
Internationally accepted method, EPI-Suite, EPA (USA)
Justification for type of information:
See attached the QMRF and QPRF for the QSAR model.
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
Meylan, W.M. and P.H. Howard. 1995. Atom/fragment contribution method for estimating octanol-water partition coefficients. J. Pharm. Sci. 84: 83-92.
Specific details on test material used for the study:
SMILES: CC(=O)O[Si](OC(=O)C)(OC(C)(C)C)OC(C)(C)C
Key result
Type:
log Pow
Partition coefficient:
1.41
Remarks on result:
other: QSAR predicted value

KOWWIN predicted that diacetoxydi-tert-butoxysilane has a log Kow of 1.41.

Conclusions:
The calculated log Pow is 1.41 (EPI-Suite, EPA USA/KOWWIN v1.68).
Executive summary:

The calculated log Pow of the substance diacetoxydi-tert-butoxysilane is 1.41 (EPI-Suite, EPA USA / KOWWIN v1.68).

Description of key information

Key study: The calculated log Pow  is 1.41 (EPI-Suite, EPA USA / KOWWIN v1.68).

Key value for chemical safety assessment

Log Kow (Log Pow):
1.41

Additional information

Key study: The calculated log Pow of the substance diacetoxydi-tert-butoxysilane is 1.41 (EPI-Suite, EPA USA / KOWWIN v1.68).