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Physical & Chemical properties

Density

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Reference
Endpoint:
density, other
Remarks:
Density
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:
Predicted data from ACD/Labs
Qualifier:
according to guideline
Guideline:
other: as mentioned below
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:
not specified
Type of method:
other: predicted data
Specific details on test material used for the study:
- Name of the test material: sodium 2-[(1-oxododecyl)amino]ethanesulphonate / Sodium lauroyl taurate
- IUPAC name: sodium 2-[(1-oxododecyl)amino]ethanesulphonate
- Molecular formula: C14H29NO4S.Na
- Molecular weight: 329.4342 g/mol
- Smiles: CCCCCCCCCCCC(=O)NCCS(=O)(=O)[O-].[Na+]
- Inchi : 1S/C14H29NO4S.Na/c1-2-3-4-5-6-7-8-9-10-11-14(16)15-12-13-20(17,18)19;/h2-13H2,1H3,(H,15,16)(H,17,18,19);/q;+1/p-1
- Substance type: Organic
- Physical state : Solid white powder
Key result
Type:
density
Density:
1.182 g/cm³
Temp.:
20 °C
Remarks on result:
other: Estimated value is 1.182 ± 0.06 g/cm3
Conclusions:
The density of chemical Sodium 2-[(1-oxododecyl)amino]ethanesulphonate was estimated to be 1.182 ± 0.06 g/cm3.
Executive summary:

Based on prediction done using ACD/I-Lab 2.0, the density of chemical Sodium 2-[(1-oxododecyl)amino]ethanesulphonate was estimated to be 1.182 ± 0.06 g/cm3.

Description of key information

The density of chemical Sodium 2-[(1-oxododecyl)amino]ethanesulphonate was estimated to be 1.182 ± 0.06 g/cm3.

Key value for chemical safety assessment

Relative density at 20C:
1.182

Additional information

Based on prediction done using ACD/I-Lab 2.0, the density of chemical Sodium 2-[(1-oxododecyl)amino]ethanesulphonate was estimated to be 1.182 ± 0.06 g/cm3.