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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
Reference:
Composition 0
Composition 0
Qualifier:
according to
Guideline:
other: estimated data
Principles of method if other than guideline:
WSKOW v1.42 was used to estimate the water solubility of 4-Methoxybenzoyl Chloride
GLP compliance:
not specified
Type of method:
other: estimated data
Test material information:
Composition 1
Specific details on test material used for the study:
- Name of test material (IUPAC name): Anisoyl chloride
- Common name: 4-Methoxybenzoyl Chloride
- Molecular formula: C8H7ClO2
- Molecular weight: 170.5943 g/mol
- Smiles notation: c1(ccc(cc1)OC)C(=O)Cl
- InChl: 1S/C8H7ClO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3
- Substance type: Organic
- Physical state: Liquid
Key result
Water solubility:
3 091 mg/L
Conc. based on:
test mat.
Temp.:
25 °C
Remarks on result:
other: Estimated data
Conclusions:
The estimated water solubility of 4-Methoxybenzoyl Chloride at 25 deg C was 3091 mg/l.
Executive summary:

WSKOW v1.42 was used to estimate the water solubility of 4-Methoxybenzoyl Chloride.

The estimated water solubility of 4-Methoxybenzoyl Chloride at 25 deg C was 3091mg/l.

Based on the estimated value, 4-Methoxybenzoyl Chloride was soluble in water.

Description of key information

The estimated water solubility of 4-Methoxybenzoyl Chloride at 25 deg C was 3091 mg/l.

Key value for chemical safety assessment

Water solubility:
3 091 mg/L
at the temperature of:
25 °C

Additional information

WSKOW v1.42 was used to estimate the water solubility of 4-Methoxybenzoyl Chloride.

The estimated water solubility of 4-Methoxybenzoyl Chloride at 25 deg C was 3091mg/l.

Based on the estimated value, 4-Methoxybenzoyl Chloride was soluble in water.