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Physical & Chemical properties

Vapour pressure

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Administrative data

Endpoint:
vapour pressure
Type of information:
(Q)SAR
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source
Justification for type of information:
EPIWIN v3.20, MPBPWIN v1.42.
Entry by CAS number

Data source

Reference
Reference Type:
other: unpublished calculation
Title:
Unnamed
Year:
2008

Materials and methods

Principles of method if other than guideline:
The vapour pressure of butanedioic acid, sulfo-, 4-(2-((1-oxo-10-undecenyl)amino)ethyl)ester, disodium salt was calculated using EPIWIN v3.20, MPBPWIN v1.42.
GLP compliance:
no
Type of method:
other: calculation

Test material

Constituent 1
Chemical structure
Reference substance name:
Disodium 4-[2-[(1-oxoundec-10-enyl)amino]ethyl] 2-sulphonatosuccinate
EC Number:
247-873-6
EC Name:
Disodium 4-[2-[(1-oxoundec-10-enyl)amino]ethyl] 2-sulphonatosuccinate
Cas Number:
26650-05-5
Molecular formula:
C17H29NO8S.2Na
IUPAC Name:
disodium 4-[2-[(1-oxoundec-10-enyl)amino]ethyl] 2-sulphonatosuccinate
Constituent 2
Reference substance name:
butanedioic acid, sulfo-, 4-(2-((1-oxo-10-undecenyl)amino)ethyl)ester, disodium salt
Cas Number:
26650-05-5
IUPAC Name:
butanedioic acid, sulfo-, 4-(2-((1-oxo-10-undecenyl)amino)ethyl)ester, disodium salt

Results and discussion

Vapour pressure
Test no.:
#1
Temp.:
25 °C
Vapour pressure:
0 hPa
Remarks on result:
other: calculated vapour pressure at 25°C: 1.31 x 10E-18 mm Hg ( 1.75 x 10E-18 hPa)

Any other information on results incl. tables

A vapour pressure of 1.31 x 10E-18 mm Hg (1.75 x 10E-18 hPa) at 25°C was calculated using EPIWIN v3.20, MPBPWIN v1.42. This is in agreement with the expected result because of the ionic structure of the molecule. Due to missing information about the applicability of the calculation model in respect to the substance under investigation the result should be treated with care.

Applicant's summary and conclusion

Conclusions:
The vapour pressure of butanedioic acid, sulfo-, 4-(2-((1-oxo-10-undecenyl)amino)ethyl)ester, disodium salt was calculated using EPIWIN v3.20, MPBPWIN v1.42. The calculation yielded a vapour pressure of 1.31 x 10E-18 mm Hg (1.75 x 10E-18 hPa) at 25°C. This is in agreement with the expected result because of the ionic structure of the molecule. Due to missing information about the applicability of the calculation model in respect to the substance under investigation the result should be treated with care.

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