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Physical & Chemical properties

Water solubility

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Endpoint:
water solubility
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
weight of evidence
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 adequate and reliable documentation / justification
Remarks:
standard organic molecule that should be within the validity set of the model for water solubility, results are similar to reported publication results
Principles of method if other than guideline:
calculated
Type of method:
other: calculated
Water solubility:
1 126 mg/L
Temp.:
25 °C
Remarks on result:
other: Kow method
Water solubility:
1 244.5 mg/L
Temp.:
25 °C
Remarks on result:
other: fragment method
Conclusions:
calculated water solubility is 1126-1244.5 mg/L @ 25 oC (Kow method - fragment method), similar to reported publication values
Executive summary:

calculated water solubility is 1126-1244.5 mg/L @ 25 oC (Kow method - fragment method), similar to reported publication values

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
weight of evidence
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
documentation insufficient for assessment
Remarks:
no method information
Principles of method if other than guideline:
no method information
Type of method:
other: no method information
Water solubility:
0.96 g/L
Temp.:
15 °C
pH:
6
Water solubility:
1.11 g/L
Temp.:
20 °C
pH:
6
Water solubility:
1.25 g/L
Temp.:
23.8 °C
pH:
6
Water solubility:
1.43 g/L
Temp.:
28.5 °C
pH:
6
Conclusions:
reported water solubility is 1.11 g/L @ 20 oC
Executive summary:

reported water solubility is 1.11 g/L @ 20 oC

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
weight of evidence
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
documentation insufficient for assessment
Remarks:
no method information
Principles of method if other than guideline:
no method information
Type of method:
other: no method information
Water solubility:
0.008 other: M
Temp.:
20 °C
Remarks on result:
other: corresponds to 1.11 g/L
Conclusions:
reported water solublity is 0.0077 M @ 20 oC (corresponds to 1.11 g/L)
Executive summary:

reported water solublity is 0.0077 M @ 20 oC (corresponds to 1.11 g/L)

Description of key information

Weight of evidence of two publications and EpiWin calculation

Key value for chemical safety assessment

Water solubility:
1.11 g/L
at the temperature of:
20 °C

Additional information