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Physical & Chemical properties

Water solubility

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Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
12 Aug 2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
EU Method A.6 (Water Solubility)
GLP compliance:
yes
Type of method:
column elution method
Key result
Water solubility:
< 0.52 mg/L
Conc. based on:
test mat.
Loading of aqueous phase:
0.52 mg/L
Temp.:
20 °C
pH:
7.54
Remarks on result:
not determinable
Key result
Water solubility:
0 mg/L
Conc. based on:
test mat.
Temp.:
25 °C
Remarks on result:
other: Virtually insoluble
Details on results:
The water solubility was estimated as < 0.52 mg/L. This concentration is below the limit of detection of the analytical method available. As a result software estimation was applied.
Conclusions:
The prediction software uses SMILES input to calculate the Water Solubility. In accordance with test guidance the water solubility was estimated using WSKOW v1.42 as:

The following results were obtained; Water Solubility at 25°C = 5.198x10-19 mg.L-1 (estimated)

Description of key information

The water solubility was estimated as < 0.52 mg/L. This concentration is below the limit of detection of the analytical method available. As a result software estimation was applied.  

Software Estimation

The prediction software uses SMILES input to calculate the Water Solubility. In accordance with test guidance the water solubility was estimated using WSKOW v1.42 as: 

The following results were obtained; Water Solubility at 25°C = 5.198x10-19mg.L-1(estimated)

Key value for chemical safety assessment

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

Additional information