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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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)
Adequacy of study:
key study
Study period:
11/08/2020
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study without detailed documentation

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2020
Report date:
2020

Materials and methods

Test guideline
Qualifier:
equivalent or similar to guideline
Guideline:
OECD Guideline 104 (Vapour Pressure Curve)
Version / remarks:
Calculation according to annex
Deviations:
yes
Remarks:
The decomposition temperature used in lieu of boiling point
GLP compliance:
no
Type of method:
other: Calculation of limiting value

Test material

Constituent 1
Chemical structure
Reference substance name:
sodium 3-[(3,4-dicyanophenyl)thio]propane-1-sulfonate
EC Number:
842-798-0
Cas Number:
444996-79-6
Molecular formula:
C11H9N2NaO3S2
IUPAC Name:
sodium 3-[(3,4-dicyanophenyl)thio]propane-1-sulfonate
impurity 1
Chemical structure
Reference substance name:
Water
EC Number:
231-791-2
EC Name:
Water
Cas Number:
7732-18-5
Molecular formula:
H2O
IUPAC Name:
Water
Test material form:
other: Paste

Results and discussion

Vapour pressure
Key result
Test no.:
#1
Temp.:
298 K
Vapour pressure:
< 0 Pa
Remarks on result:
other: by calculation
Transition / decomposition
Transition / decomposition:
yes
Transition temp.:
311 °C

Applicant's summary and conclusion

Conclusions:
Using the decomposition point as a proxy for boiling point, the vapour pressure of S200437 is estimated to be <7.7x10^(-6) Pa.
Executive summary:

The vapour pressure of the substance was estimated using of the modified Watson Correlation. This is appropriate as the melting point of the substance is >200ºC.

As the substance decomposed at ca 311ºC a limiting value was estimated using the decomposition temperature as the minimum possible value for the boiling point. The vapour pressure of S200437 is estimated to be <7.7x10^(-6) Pa.