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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
other information
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
other: No report available

Data source

Reference
Reference Type:
other: calculated
Title:
QSAR Estimations for Diazobarbituric acid (CAS: 31221-06-4)
Author:
EPI Suite 4.1
Year:
2012

Materials and methods

Principles of method if other than guideline:
MPBPWIN estimates vapour pressure by three separate methods: (1) the Antoine method, (2) the modified Grain method, and (3) the Mackay method. All three use the normal boiling point to estimate VP.
GLP compliance:
no
Type of method:
other: Calculated with MPBPWIN v1.43

Test material

Constituent 1
Chemical structure
Reference substance name:
5-Diazo-2,4,6(1H, 3H, 5H)-pyrimidinetrione
EC Number:
608-591-2
Cas Number:
31221-06-4
Molecular formula:
C4H2N4O3
IUPAC Name:
5-Diazo-2,4,6(1H, 3H, 5H)-pyrimidinetrione
Constituent 2
Reference substance name:
5-diazonio-2,4-dioxo-1H-pyrimidin-6-olate
IUPAC Name:
5-diazonio-2,4-dioxo-1H-pyrimidin-6-olate
Details on test material:
related to pure substance

Results and discussion

Vapour pressure
Temp.:
25 °C
Vapour pressure:
0 Pa
Remarks on result:
other: Modified Grain Method

Any other information on results incl. tables

The vapour pressure was calculated on the basis of a boiling point of 250 -280°C °C.

Applicant's summary and conclusion

Executive summary:

The QSAR determination of the vapour pressure of Diazobarbituric acid using the model MPBPWIN included in the Estimation Program Interface (EPI) Suite v4.1 revealed a value of 1.53*10 -13 Pa at 25°C.