Registration Dossier

Diss Factsheets

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 MPBPVP, is an approved QSAR tool for the prediction of the vapour pressure
Justification for type of information:
REACh regulation, Annex VII, 7.5.: If the melting point is between 200 °C and 300 °C, a limit value based on measurement or a recognised calculation method is sufficient.

Data source

Reference
Title:
Unnamed
Year:
2012

Materials and methods

Principles of method if other than guideline:
EPI-Suite V4.00 (US EPA), model MPBPVP v1.43)

Test material

Constituent 1
Chemical structure
Reference substance name:
Barbituric acid
EC Number:
200-658-0
EC Name:
Barbituric acid
Cas Number:
67-52-7
Molecular formula:
C4H4N2O3
IUPAC Name:
pyrimidine-2,4,6(1H,3H,5H)-trione
Details on test material:
SMILES : O=C(NC(=O)CC1(=O))N1

Results and discussion

Vapour pressure
Temp.:
25 °C
Vapour pressure:
0 Pa

Applicant's summary and conclusion