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EC number: 202-816-4 | CAS number: 100-07-2
Water solubility
Administrative data
Link to relevant study record(s)
- 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:
- according to guideline
- 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
- 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.
Reference
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.
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