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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
Study period:
not applicable
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
The substance has a melting point > 210°C (decomposition), therefore a limit value based on a recognised calculation method is provided.

Data source

Reference
Reference Type:
other: QSAR
Title:
MPBPVPWIN, v.1.43
Author:
EPA’s Office of Pollution Prevention Toxics and Syracuse Research Corporation.
Year:
2010
Bibliographic source:
http://www.epa.gov/opptintr/exposure/pubs/episuite.htm

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
The vapour pressure was estimated by the Modified Grain method. This is the preferred method for solids.
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
2,2'-[[3-chloro-4-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]phenyl]imino]bisethyl bis(hydrogen sulphate), potassium sodium salt
EC Number:
287-719-5
EC Name:
2,2'-[[3-chloro-4-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]phenyl]imino]bisethyl bis(hydrogen sulphate), potassium sodium salt
Cas Number:
85567-07-3
Molecular formula:
C36H42Cl2KN6NaO28S8
IUPAC Name:
2,2'-[[3-chloro-4-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]phenyl]imino]bisethyl bis(hydrogen sulphate), potassium sodium salt
Test material form:
solid
Details on test material:
Batch: 1283067001

Results and discussion

Vapour pressure
Key result
Test no.:
#1
Temp.:
25 °C
Vapour pressure:
0 Pa

Applicant's summary and conclusion

Conclusions:
The estimated vapour pressure, using the modified grain method, is 3.38 E-31 Pa.
Executive summary:

The vapour pressure was estimated using MpBpwin v.1.43 available in EPA's EpiSuite program. The modified Grain calculation method was selected as suitable estimation method. No boiling point information was fed into the program as this is not available (decomposition before boiling point is reached). The estimated vapour pressure is 3.38 E-31 Pa.