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EC number: 306-549-5 | CAS number: 97281-48-6
Water solubility
Administrative data
Link to relevant study record(s)
- 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
- 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.
Reference
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
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