Registration Dossier
Registration Dossier
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EC number: 253-452-8 | CAS number: 37294-49-8
Vapour pressure
Administrative data
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Justification for type of information:
- 1. SOFTWARE
EPI Suite
2. MODEL (incl. version number)
EPIwin v4.11
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CAS 37294-49-8
S(=O)(=O)([O-])C(C(=O)[O-])CC(=O)OCCCCCCCC(C)C.[Na+].[Na+]
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Developed by the US-EPA, standard QSAR tool for physchem parameters.
5. APPLICABILITY DOMAIN
See output. The domains of the substace are within the applicability domain of the registered substance.
6. ADEQUACY OF THE RESULT
The result is considered sufficiently reliable for the purpose of the use (calculation of the PNEC using the equilibrium partitioning method). Otherwise, there would be no value available (waiving of this endoint since the MP is > 300°C).
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guideline
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- EPI Suite v4.11, Modified Grain method
- GLP compliance:
- no
- Type of method:
- other: QSAR
Test material
- Reference substance name:
- Disodium C-isodecyl sulphonatosuccinate
- EC Number:
- 253-452-8
- EC Name:
- Disodium C-isodecyl sulphonatosuccinate
- Cas Number:
- 37294-49-8
- Molecular formula:
- C14H26O7S.2Na
- IUPAC Name:
- disodium 4-[(2-methylnonyl)oxy]-4-oxo-3-sulfonatobutanoate
Constituent 1
Results and discussion
Vapour pressure
- Key result
- Test no.:
- #1
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Remarks on result:
- other: QSAR calculation
Applicant's summary and conclusion
- Executive summary:
Since the melting point of the registered substance is > 300°C, the vapour pressure was estimated using the QSAR-tool EPI Suite (EPIwin v4.11) ith the modified Grain method. The vapour pressure was estimated to be 5.22*10^-12 Pa.
The result is considered sufficiently reliable for the purpose of the use (calculation of the PNEC using the equilibrium partitioning method). Otherwise, there would be no value available (waiving of this endoint since the MP is > 300°C).
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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