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EC number: 274-695-6 | CAS number: 70609-66-4
Melting point / freezing point
Administrative data
Link to relevant study record(s)
- Endpoint:
- melting point/freezing point
- 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 developed by USEPA
- Qualifier:
- according to guideline
- Guideline:
- other: Estimated data
- Principles of method if other than guideline:
- MPBPVP v1.43 was used to estimate the Melting point of chemical Sodium 2-[(1-oxododecyl)amino]ethanesulphonate
- GLP compliance:
- not specified
- Type of method:
- other: Estimated by calculation
- 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
- Melting / freezing pt.:
- 304.11 °C
- Remarks on result:
- other: Estimated value
- Conclusions:
- Based on prediction done using MPBPVP v1.43, the melting point of chemical Sodium 2-[(1-oxododecyl)amino]ethanesulphonate was estimated to be 304.11˚C
- Executive summary:
Based on the prediction done using the EPI Suite MPVPBP V1.43, the melting point of chemical Sodium 2-[(1-oxododecyl)amino]ethanesulphonate was predicted.
The melting point of chemical Sodium 2-[(1-oxododecyl)amino]ethanesulphonate was estimated to be 304.11 ˚C
Reference
Description of key information
Based on prediction done using MPBPVP v1.43, the melting point of chemical Sodium 2-[(1-oxododecyl)amino]ethanesulphonate was estimated to be 304.11˚C
Key value for chemical safety assessment
- Melting / freezing point at 101 325 Pa:
- 304.11 °C
Additional information
Based on the prediction done using the EPI Suite MPVPBP V1.43, the melting point of chemical Sodium 2-[(1-oxododecyl)amino]ethanesulphonate was predicted.
The melting point of chemical Sodium 2-[(1-oxododecyl)amino]ethanesulphonate was estimated to be 304.11 ˚C
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