Registration Dossier

Diss Factsheets

Administrative data

Endpoint:
Henry's law constant
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Acceptable calculation method
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: model calculation report
Title:
Unnamed
Year:
2007

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
calculated, bond estimation method
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
1-(1,1-dimethylethoxy)-2-methylpropane
EC Number:
251-347-1
EC Name:
1-(1,1-dimethylethoxy)-2-methylpropane
Cas Number:
33021-02-2
Molecular formula:
C8H18O
IUPAC Name:
1-(tert-butoxy)-2-methylpropane

Results and discussion

Henry's Law constant H
H:
478 Pa m³/mol
Temp.:
25 °C

Applicant's summary and conclusion