Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
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