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Physical & Chemical properties

Water solubility

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Reference
Endpoint:
water solubility
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Accepted calculation method
Principles of method if other than guideline:
Calculation with ACD/Percepta, Version 14.0.0 developed and maintained by Advanced Chemistry Development, Inc., 2008.
GLP compliance:
no
Type of method:
other: QSAR
Water solubility:
0 mg/L
Temp.:
25 °C
pH:
7

The solubility of all components is calculated at several pH values ranging from 1.7 to 8.0 reflecting solubility in various media:

pH = 1.7 (Stomach)

pH = 4.6 (Duodenum)

pH = 6.5 (Jejunum and Ileum)

pH = 7.4 (Blood)

pH = 8.0 (Colon)

Results for each component stable over the pH range.

Description of key information

Key value for chemical safety assessment

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

Additional information

An estimation of the water solubility was performed by means of a QSAR model (ACD) resulting in a value of 8.0E-7 mg/L.

Based on all these findings it was concluded that the water solubility of the test substance is < 1 mg/L.