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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.  

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