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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
key study
Study period:
2015
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: well performed calculation with acknowledged software

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2015
Report date:
2015

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: calculation
Principles of method if other than guideline:
Calculation with Software / MPBPWIN 1.43 (Syracuse Research Corporation)
GLP compliance:
no
Type of method:
other: calculation

Test material

Constituent 1
Chemical structure
Reference substance name:
Sodium bis[3-[[1-(3-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-hydroxy-N-methylbenzene-1-sulphonamidato(2-)]chromate(1-)
EC Number:
276-067-7
EC Name:
Sodium bis[3-[[1-(3-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-hydroxy-N-methylbenzene-1-sulphonamidato(2-)]chromate(1-)
Cas Number:
71839-81-1
Molecular formula:
C34H28Cl2CrN10O8S2.Na
IUPAC Name:
Chromate(1-), bis[3-[2-[1-(3-chlorophenyl)-4,5-dihydro-3-methyl-5-(oxo-kO)-1H-pyrazol-4-yl]diazenyl-kN1]-4-(hydroxy-kO)-N-methylbenzenesulfonamidato(2-)]-, sodium (1:1)

Results and discussion

Vapour pressure
Temp.:
20 °C
Vapour pressure:
< 0.001 Pa
Remarks on result:
other: calculated

Applicant's summary and conclusion

Conclusions:
The calculated vapour pressure of the substance is < 0.001 Pa at 20°C.
Executive summary:

The vapour pressure of the substance was calculated with the Software / MPBPWIN 1.43 (Syracuse Research Corporation).

It was found to be < 0.001 Pa at 20°C.

This molecule cannot be calculated directly with Syracuse. The Syracuse calculation on a similar structure about half the size gave a vapour pressure less than 0.001 Pa. The vapour pressure of the substance must be even lower.