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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:
results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
Justification for type of information:
QSAR calculations applying the valid QSAR calculation tool EPI-Suite (EPIWEB v 4.1) were conducted based on the cas no: 97281-48-6
Qualifier:
according to
Guideline:
other: Epi suite QSAR calculation
Version / remarks:
EPIWEB 4.1
Principles of method if other than guideline:
Estimation from log Kow is done by the use of WSKOW v 1.42
Estimation from fragments v1.01 est
Specific details on test material used for the study:
QSAR calculation based on CAS: 97281-48-6
Key result
Water solubility:
0 mg/L
Temp.:
25 °C
Remarks on result:
other: estimate based on the Log Kow = 13.77
Key result
Water solubility:
0 mg/L
Remarks on result:
other: estimate from fragments
Conclusions:
QSAR calculations were applied for the determination of the water solubility (Sw).
Results obtained were
Sw = 1.461E-011 mg/L (at 25 °C) estimated from Log Kow and
Sw = 7.9218E-07 mg/L when estimated from fragments.
Executive summary:

QSAR calculations were applied for the determination of the water solubility (Sw)

Results obtained were

Sw = 1.461E-011 mg/L (at 25 °C) estimated from Log Kow and

Sw = 7.9218E-07 mg/L when estimated from fragments.

Description of key information

QSAR calculations were applied for the determination of the water solubility (Sw).

Results obtained were

Sw = 1.461E-011 mg/L (at 25 °C) estimated from Log Kow and

Sw = 7.9218E-07 mg/L when estimated from fragments.

Key value for chemical safety assessment

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

Additional information