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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Physical & Chemical properties

Vapour pressure

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Administrative data

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Reference
Endpoint:
vapour pressure
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
December 2021
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
Qualifier:
according to guideline
Guideline:
other:
Version / remarks:
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:
- Software tool(s) used including version: EpiSuite 4.1/MPBPWIN
- Model(s) used: v1.44
- Model description: see field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification'
GLP compliance:
no
Specific details on test material used for the study:
SMILES: O=C(Nc1ccccc1)Nc4ccc(S(=O)(=O)c3ccc(NS(=O)(=O)c2ccccc2)cc3)cc4
Key result
Test no.:
#1
Temp.:
25 °C
Vapour pressure:
ca. 0 Pa
Remarks on result:
other: modified Grain method
Conclusions:
The vapour pressure of the test item is 2.53E–14 Pa at 25 °C, obtained by QSAR calculation.
Executive summary:

The vapour pressure of the test item was estimated by QSAR calculation (MPBPWin v1.44, EpiSuite). An experimental value for the melting point was taken into account. The resulting vapour pressure is 2.53E-14 Pa at 25 °C.

Description of key information

The vapour pressure of the test item is 2.53 × 10–14 Pa at 25 °C, obtained by QSAR calculation.

Key value for chemical safety assessment

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

Additional information