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Diss Factsheets

Physical & Chemical properties

Water solubility

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Reference
Endpoint:
water solubility
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
2017
Reliability:
2 (reliable with restrictions)
Justification for type of information:
Test
Qualifier:
according to guideline
Guideline:
other: Guidance on information requirements and chemical safety assessment, Chapter R.6: QSARs and grouping of chemicals, ECHA, May 2008
Principles of method if other than guideline:
WATERNT uses a "fragment constant" methodology to predict water solubility.  In a "fragment constant" method, a structure is divided into fragments (atom or larger functional groups) and coefficient values of each fragment or group are summed together to yield the solubility estimate.  
The exact same methodology is used in the KOWWIN Program (estimation of octanol water partition coefficient.
GLP compliance:
no
Type of method:
other: Calculation
Water solubility:
ca. 17.81 g/L
Temp.:
25 °C
Remarks on result:
other: QSAR predicted value
Conclusions:
Interpretation of results: soluble
Executive summary:

The water solubility of 1,4-naphthoquinone was predicted from Log Kow (WSKOW v1.42) to be 0,682 g/l at 25°C.

Description of key information

Key value for chemical safety assessment

Water solubility:
0.682 g/L
at the temperature of:
25 °C

Additional information

The water solubility of 1,4-naphthoquinone was predicted from Log Kow (WSKOW v1.42) to be 0.6821 g/l at 25°C.