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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

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Diss Factsheets

Physical & Chemical properties

Vapour pressure

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Reference
Endpoint:
vapour pressure
Type of information:
(Q)SAR
Adequacy of study:
key study
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 adequate and reliable documentation / justification
Justification for type of information:
1. SOFTWARE: Epi Suite

2. MODEL (incl. version number): MPBPWIn v1.43

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL: C1CN(CCN1CCO)CCS(=O)(=O)O([Na])

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL: not required (MPBPWIN is considered a recognised calculation method as required in the REACH Regulation, Annex VII, 7.4, column 2)

5. APPLICABILITY DOMAIN: not required (MPBPWIN is considered a recognised calculation method as required in the REACH Regulation, Annex VII, 7.4, column 2)

6. ADEQUACY OF THE RESULT: not applicable (endpoint is not relevant for clasification and labelling and risk assessment)
Qualifier:
according to guideline
Guideline:
other: ECHA Guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals
Deviations:
no
Principles of method if other than guideline:
Estimation of vapour pressure using MPBPwin v1.43 as part of EPISuite
GLP compliance:
yes
Type of method:
other: MPBPWIN v1.43
Remarks:
A recognised calculation method was applied, as the melting point was between 200°C and 300°C (according to the REACH regulation, Annex VII, 7.4, column 2).
Specific details on test material used for the study:
SMILES: C1CN(CCN1CCO)CCS(=O)(=O)O([Na])
Key result
Temp.:
25 °C
Vapour pressure:
ca. 0 Pa
Remarks on result:
other: QSAR predicted value: The substance is within the applicability domain of the model.

The vapour pressure of the registered substance was determined in a study under GLP conditions according to OECD Test Guideline 104.


As the melting point was between 200 °C and 300 °C, a recognised calculation method (MPBPWIN v1.43) was applied, (according to the REACH regulation, Annex VII, 7.4, column 2).


The vapour pressure was calculated to be 0.000000000000025 Pa at 25°C.

Conclusions:
The vapour pressure was calculated to be 0.000000000000025 Pa at 25 °C.
Executive summary:

As the melting point was between 200 °C and 300 °C, a recognised calculation method (MPBPWIN v1.43) was applied (according to the REACH regulation, Annex VII, 7.4, column 2). The vapour pressure was calculated to be 0.000000000000025 Pa at 25 °C.

Description of key information

The vapour pressure was calculated to be 0.000000000000025 Pa at 25 °C (reference 4.6-1).

Key value for chemical safety assessment

Vapour pressure:
0 Pa
at the temperature of:
25 °C

Additional information

As the melting point was between 200 °C and 300 °C, a recognised calculation method (MPBPWIN v1.43) was applied (according to the REACH regulation, Annex VII, 7.4, column 2). The vapour pressure was calculated to be 0.000000000000025 Pa at 25 °C.