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EC number: 214-901-3 | CAS number: 1208-67-9
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:
- no guideline available
- Principles of method if other than guideline:
- WSKOW v1.42 was used to estimate the water solubility of chemical sodium 4-(2-methylprop-2-en-1-yl)benzenesulfonate.
- GLP compliance:
- no
- Type of method:
- other: estimated data
- Specific details on test material used for the study:
- - Name of test material :sodium 4-(2-methylprop-2-en-1-yl)benzenesulfonate
- Molecular formula: C10H12O4SNa
- Molecular weight : 250.249 g/mol
- Smiles notation : S(=O)(=O)([O-])c1ccc(OCC(C)=C)cc1.[Na+]
- InChl:1S/C10H12O4S.Na/c1-8(2)7-14-9-3-5-10(6-4-9)15(11,12)13;/h3-6H,1,7H2,2H3,(H,11,12,13);/q;+1/p-1
- Substance type:Organic
- Physical state:Solid - Key result
- Water solubility:
- ca. 211 000 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 25 °C
- Remarks on result:
- other: The substance is highly soluble.
- Conclusions:
- The estimated water solubility of chemical sodium 4-(2-methylprop-2-en-1-yl)benzenesulfonate at 25 deg C was 211000 mg/l.
- Executive summary:
WSKOW v1.42 was used to estimate the water solubility of the chemical sodium 4-(2-methylprop-2-en-1-yl)benzenesulfonate.
The estimated water solubility of chemical sodium 4-(2-methylprop-2-en-1-yl)benzenesulfonate at 25 deg C was 211000 mg/l. Thus, it can be concluded that sodium 4-(2-methylprop-2-en-1-yl)benzenesulfonate is highly soluble in water.
Reference
Description of key information
WSKOW v1.42 was used to estimate the water solubility of the chemical sodium 4-(2-methylprop-2-en-1-yl)benzenesulfonate.
The estimated water solubility of chemical sodium 4-(2-methylprop-2-en-1-yl)benzenesulfonate at 25 deg C was 211000 mg/l.
Thus, it can be concluded that sodium 4-(2-methylprop-2-en-1-yl)benzenesulfonate is highly soluble in water.
Key value for chemical safety assessment
- Water solubility:
- 211 000 mg/L
- at the temperature of:
- 25 °C
Additional information
WSKOW v1.42 was used to estimate the water solubility of the chemical sodium 4-(2-methylprop-2-en-1-yl)benzenesulfonate.
The estimated water solubility of chemical sodium 4-(2-methylprop-2-en-1-yl)benzenesulfonate at 25 deg C was 211000 mg/l.
Thus, it can be concluded that sodium 4-(2-methylprop-2-en-1-yl)benzenesulfonate is highly soluble in water.
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