Registration Dossier

Physical & Chemical properties

Vapour pressure

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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:
2018
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
Name:
Unnamed
Type:
Constituent

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).