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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)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
data is from modelling database
Qualifier:
equivalent or similar to guideline
Guideline:
other: estimated data
Principles of method if other than guideline:
WSKOW v1.42 was used to estimate the water solubility of test substance
GLP compliance:
not specified
Type of method:
other: estimated data
Specific details on test material used for the study:
- Name of test material: Sodium phenylacetate
- IUPAC name: Sodium 2-phenylacetate
- Molecular formula: C8H7NaO2
- Molecular weight: 158.1313 g/mole
- Smiles : c1(ccccc1)CC(=O)[O-].[Na+]
- Inchl: 1S/C8H8O2.Na/c9-8(10)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);/q;+1/p-1
- Substance type: Organic
- Physical state: Solid
Key result
Water solubility:
1 000 000 mg/L
Conc. based on:
test mat.
Temp.:
25 °C
Remarks on result:
completely miscible
Conclusions:
The estimated water solubility of test substance Sodium phenylacetate at 25 deg C was 1000000 mg/l
Executive summary:

WSKOW v1.42 was used to estimate the water solubility of the test substance Sodium phenylacetate.

The estimated water solubility of the substance Sodium phenylacetate at 25 deg C was 1000000 mg/l

Based on the estimated value, the test substance Sodium phenylacetate was cosidered to be very soluble in water.

Description of key information

The estimated water solubility of test substance Sodium phenylacetate at 25 deg C was  1000000 mg/l.

Key value for chemical safety assessment

Water solubility:
1 000 000 mg/L
at the temperature of:
25 °C

Additional information

WSKOW v1.42 was used to estimate the water solubility of the test substance Sodium phenylacetate.

The estimated water solubility of the test substance Sodium phenylacetate at 25 deg C was 1000000 mg/l

Other supporting data from other reliable handbooks, also suggested the chemical Sodium phenylacetate was soluble in water.

Results based on above data and estimated values confirmed that the chemical Sodium phenylacetate was very soluble-soluble in water.