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Water solubility

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Reference
Endpoint:
water solubility
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
2022
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
Remarks:
see attached QPRF and "Overall remarks" section
Justification for type of information:
QSAR prediction: for information on QMRF and QPRF please see attached documents.
Principles of method if other than guideline:
The result was obtained using an appropriate QSAR method (see attached QMRF and QPRF for details).
GLP compliance:
no
Type of method:
other: QSAR
Water solubility:
1 000 000 mg/L
Temp.:
25 °C
Remarks on result:
other: Estimated value, no data available for pH. Temperature reported as provided by the original WaterNT model, and according to the temperatures of the measured water solubilities of the molecules in the training set (20-25 °C)
Conclusions:
The accuracy of the prediction is considered as not sufficient for estimating a precise value of the water solubility of the evaluated molecule.
However, the generated value (1E+06 mg/L at 20 °C) indicates that the molecule is miscible with water in any proportion.

Description of key information

silanol hydrolysis product: highly soluble at 25 °C (QSAR)

Key value for chemical safety assessment

Additional information

The accuracy of the prediction is considered as not sufficient for estimating a precise value of the water solubility of the evaluated molecule. However, the generated value (1E+06 mg/L at 25 °C) indicates that the molecule is miscible with water in any proportion.