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EC number: 214-901-3 | CAS number: 1208-67-9
Density
Administrative data
Link to relevant study record(s)
- Endpoint:
- density, other
- Remarks:
- Density
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- other: Predicted data from ACD/Labs
- Justification for type of information:
- Predicted data from ACD/Labs
- Qualifier:
- no guideline available
- Principles of method if other than guideline:
- ACD/I-Lab accepts smiles of test item and predicted data for density using v12.1.0.50375.
- GLP compliance:
- no
- Type of method:
- other: Estimated
- 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
- Type:
- density
- Density:
- 1.263 g/cm³
- Remarks on result:
- other: Estimated value=1.263 ± 0.06 g/cm3
- Conclusions:
- Based on prediction done using ACD/I-Lab 2.0,the density of chemical sodium 4-(2-methylprop-2-en-1-yl)benzenesulfonate was estimated to be 1.263 ± 0.06 g/cm3.
- Executive summary:
Based on prediction done using ACD/I-Lab 2.0,the density of chemical sodium 4-(2-methylprop-2-en-1-yl)benzenesulfonate was estimated to be 1.263 ± 0.06 g/cm3.
Reference
Description of key information
Based on prediction done using ACD/I-Lab 2.0, the density of chemical sodium 4-(2-methylprop-2-en-1-yl)benzene sulfonate was estimated to be 1.263 ± 0.06 g/cm3.
Key value for chemical safety assessment
- Relative density at 20C:
- 1.263
Additional information
Based on prediction done using ACD/I-Lab 2.0,the density of chemical sodium 4-(2-methylprop-2-en-1-yl)benzenesulfonate was estimated to be 1.263 ± 0.06 g/cm3.
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