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Physical & Chemical properties

Water solubility

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Reference
Endpoint:
water solubility
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
Meylan, W.M. P.H. Howard and R.S. Boethling. 1996. Improved method for estimating water solubility from octanol/water partition coefficient. Environ. Toxicol. Chem. 15: 100-106.
Specific details on test material used for the study:
SMILES: NCCOS(=O)(=O)O
Key result
Water solubility:
1 000 000 mg/L
Conc. based on:
test mat.
Temp.:
25 °C
Remarks on result:
other: QSAR predicted value
Details on results:
Water solubility = 1e+006 mg/L at 25 ºC

WSKOW v1.42. predicted that the test item has a Water solubility = 1e+006 mg/L at 25 ºC

Conclusions:
The estimated water solubility is 1e+006 mg/l at 25 ºC (EPI-Suite, WSKOW v1.42).
Executive summary:

The estimated water solubility is 1e+006 mg/l at 25 ºC (EPI-Suite, WSKOW v1.42).

Description of key information

Key study: Internationally accepted calculation method, EPI-Suite EPA (USA). The estimated water solubility is 1E+006 mg/l at 25 ºC (EPI-Suite, WSKOW v1.42).

Key value for chemical safety assessment

Water solubility:
1 000 000 mg/L
at the temperature of:
25 °C

Additional information