Registration Dossier

Administrative data

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
Remarks:
EPI-Suite (US EPA), core model MPBPWIN, is an approved QSAR tool for the prediction of the vapour pressure
Justification for type of information:
EPI-Suite (US EPA), core model MPBPWIN, is an approved QSAR tool for the prediction of the vapour pressure. The vapour pressure is calculated from structural parameters. The algorithm is derived from a correlation of a large number of chemical substances with experimental vapour pressure data.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2019
Report Date:
2019

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
other: REACh Guidance on QSARs R.6
Principles of method if other than guideline:
EPI-Suite (US EPA) v4.11, model MPBPWIN v 1.43

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
SMILES: N3=C (C)C(N=Nc2c(O)c(S(=O)(=O)O)cc(N(=O))c2)C(=O)N3c1ccccc1

Results and discussion

Vapour pressure
Key result
Temp.:
20 °C
Vapour pressure:
< 0.001 Pa

Applicant's summary and conclusion