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Diss Factsheets

Administrative data

Endpoint:
vapour pressure
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Validated model
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: QSAR model
Title:
Unnamed
Year:
2010
Report date:
2010

Materials and methods

Test guideline
Guideline:
other: QSAR pbt profiler
Principles of method if other than guideline:
QSAR by EPIWIN: Modified Grain Method used
GLP compliance:
not specified
Type of method:
other: calculated via QSAR

Test material

Constituent 1
Chemical structure
Reference substance name:
2-[(p-aminophenyl)sulphonyl]ethyl hydrogensulphate
EC Number:
219-669-7
EC Name:
2-[(p-aminophenyl)sulphonyl]ethyl hydrogensulphate
Cas Number:
2494-89-5
Molecular formula:
C8H11NO6S2
IUPAC Name:
[2-(4-aminobenzenesulfonyl)ethoxy]sulfonic acid
Details on test material:
Canonical SMILES: C1=CC(=CC=C1N)S(=O)(=O)CCOS(=O)(=O)O

Results and discussion

Vapour pressure
Temp.:
ca. 25 °C
Vapour pressure:
ca. 0 Pa
Remarks on result:
other: QSAR

Applicant's summary and conclusion