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EC number: 257-840-8 | CAS number: 52314-67-7
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:
- 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 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride
- GLP compliance:
- not specified
- Type of method:
- other: estimated data
- Specific details on test material used for the study:
- - Name of test material: 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride
- Molecular formula: C8H9Cl3O
- Molecular weight: 227.517
- Smiles notation: O=C([C@@H]1C(C)(C)[C@@H]1\C=C(/Cl)Cl)Cl
- InChl: 1S/C8H9Cl3O/c1-8(2)4(3-5(9)10)6(8)7(11)12/h3-4,6H,1-2H3
- Substance type: Organic
- Physical state : Liquid - Key result
- Water solubility:
- 123.2 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 25 °C
- Remarks on result:
- other: No other detail available
- Conclusions:
- The estimated water solubility chemical of 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride at 25 deg C was 123.2 mg/l.
- Executive summary:
WSKOW v1.42 was used to estimate the water solubility of 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride
The estimated water solubility of 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride at 25 deg C was123.2 mg/l
Based on the estimated value, 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride was moderately soluble in water.
Reference
Description of key information
The estimated water solubility chemical of 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride at 25 deg C was 123.2 mg/l.
Key value for chemical safety assessment
- Water solubility:
- 123.2 mg/L
- at the temperature of:
- 25 °C
Additional information
WSKOW v1.42 was used to estimate the water solubility of 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride
The estimated water solubility of 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride at 25 deg C was123.2 mg/l
Based on the estimated value, 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride was moderately soluble in water.
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