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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: C1COCCN1CCS(=O)(=O)O([Na])

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL: not required (as the study does not need to be conducted for substances that decompose < 300 °C)

5. APPLICABILITY DOMAIN: not required (as the study does not need to be conducted for substances that decompose < 300 °C)

6. ADEQUACY OF THE RESULT: not applicable (endpoint is not relevant for classification 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
Version / remarks:
May 2008
Deviations:
no
Principles of method if other than guideline:
The vapour pressure was estimated by an atom/fragment contribution method using the software MPBPWIN v1.43 using the SMILES C1COCCN1CCS(=O)(=O)O([Na]).
GLP compliance:
yes
Type of method:
other: QSAR calculation method
Remarks:
As the substance decomposes before melting, the vapour pressure cannot be determined experimentally. Therefore, it was calculated.
Specific details on test material used for the study:
SMILES: C1COCCN1CCS(=O)(=O)O([Na])
Key result
Temp.:
25 °C
Vapour pressure:
0 Pa
Remarks on result:
other: QSAR predicted value
Conclusions:
The vapour pressure of the test item was calculated to 1.63e-9 Pa at 25 °C.
Executive summary:

As the substance decomposes before melting, the vapour pressure could not be determined experimentally. Therefore, the vapour pressure was calculated using MPBPWIN Version v1.43. The vapour pressure of the test item was estimated to 1.63e-9 Pa at 25 °C.

Description of key information

The vapour pressure of the test item was calculated to 1.63e-9 Pa at 25 °C.

Key value for chemical safety assessment

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

Additional information

As the substance decomposes before melting, the vapour pressure could not be determined experimentally. Therefore, the vapour pressure was calculated using MPBPWIN Version v1.43. The vapour pressure of the test item was estimated to 1.63e-9 Pa at 25 °C.