Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

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