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Physical & Chemical properties

Water solubility

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Reference
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 Sodium 2-[(1-oxododecyl)amino]ethanesulphonate
GLP compliance:
not specified
Type of method:
other: estimated 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
Water solubility:
29 860 mg/L
Conc. based on:
test mat.
Temp.:
25 °C
Remarks on result:
other: estimaed data
Conclusions:
The estimated water solubility of Sodium 2-[(1-oxododecyl)amino]ethanesulphonate at 25 deg C was 29860 mg/l.
Executive summary:

WSKOW v1.42 was used to estimate the water solubility of the Sodium 2-[(1-oxododecyl)amino]ethanesulphonate.

The estimated water solubility of the Sodium 2-[(1-oxododecyl)amino]ethanesulphonate at 25 deg C was 29860 mg/l.

Based on the estimated value, the Sodium 2-[(1-oxododecyl)amino]ethanesulphonate was very soluble in water.

Description of key information

The estimated water solubility of Sodium 2-[(1-oxododecyl)amino]ethanesulphonate at 25 deg C was  29860 mg/l.

Key value for chemical safety assessment

Water solubility:
29 860 mg/L
at the temperature of:
25 °C

Additional information

WSKOW v1.42 was used to estimate the water solubility of the Sodium 2-[(1-oxododecyl)amino]ethanesulphonate.

The estimated water solubility of the Sodium 2-[(1-oxododecyl)amino]ethanesulphonate at 25 deg C was 29860 mg/l.

Based on the estimated value, the Sodium 2-[(1-oxododecyl)amino]ethanesulphonate was very soluble in water.

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