Registration Dossier

Administrative data

Endpoint:
Henry's law constant
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
other information
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Scientifically acceptable method

Data source

Reference
Reference Type:
other: model calculation report
Title:
Unnamed
Year:
2011
Report date:
2011

Materials and methods

Principles of method if other than guideline:
Calculation using SRC HENRYWIN v3.20
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
2,3,7,8-tetrahydro-2,5,8-benzotrioxacycloundecine-1,9-dione
EC Number:
229-554-3
EC Name:
2,3,7,8-tetrahydro-2,5,8-benzotrioxacycloundecine-1,9-dione
Cas Number:
6607-34-7
Molecular formula:
C10H16O5
IUPAC Name:
1,4,7-trioxacyclotridecane-8,13-dione
Details on test material:
- Name of test material (as cited in study report): SMILES: C1(=O)OCCOCCOC(=O)CCCC1
- Analytical purity: pure substance

Results and discussion

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

Applicant's summary and conclusion