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Physical & Chemical properties

Water solubility

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Endpoint:
water solubility
Type of information:
other: handbook data
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Qualifier:
no guideline followed
Principles of method if other than guideline:
handbook data, no further information available
GLP compliance:
no
Type of method:
other: no information available
Specific details on test material used for the study:
not applicable
Water solubility:
ca. 196 g/L
Conc. based on:
not specified
Temp.:
14.5 °C
Remarks on result:
other: 19.6 G/100 CC
Water solubility:
ca. 833 g/L
Conc. based on:
not specified
Temp.:
100 °C
Remarks on result:
other: 83.3 G/100 CC
Conclusions:
The water solubility of Ammonium Benzoate is 196 g/L at 14.5 °C and 833 g/L at 100 °C.
Endpoint:
water solubility
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
3 (not reliable)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, and documentation / justification is limited
Justification for type of information:
1. SOFTWARE
Epi Web 4.11
2. MODEL (incl. version number)
WSKOW v1.42
and
WATERNT v1.01
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
N(H)(H)(H)(H)OC(=O)c1ccccc1
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
well established program/model released by US governmental department
5. APPLICABILITY DOMAIN
ionogenic substances/charged compounds out of domain.
6. ADEQUACY OF THE RESULT
The results do not match the reported handbook data and are rated as not adequate
Qualifier:
no guideline followed
Principles of method if other than guideline:
QSAR calculation tool used, in silico method
GLP compliance:
no
Type of method:
other: not applicable
Specific details on test material used for the study:
not applicable
Water solubility:
ca. 1 000 g/L
Conc. based on:
not specified
Temp.:
25 °C
Remarks on result:
other: WSKOW v1.42
Water solubility:
ca. 5 632.5 mg/L
Temp.:
25 °C
Remarks on result:
other: WATERNT v1.01
Conclusions:
based on the applied model, the water solubility for Ammonium Benzoate is calculated to be 5.6 g/L or 1000 g/L

Description of key information

Handbook data available and used for assessment.

QSAR calculation is not applicable.

Key value for chemical safety assessment

Water solubility:
196 g/L
at the temperature of:
25 °C

Additional information