Registration Dossier

Diss Factsheets

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: Accepted calculation method

Data source

Referenceopen allclose all

Reference Type:
other: EpiSuite Calculation
Title:
Unnamed
Year:
2010
Report date:
2010
Reference Type:
secondary source
Title:
1,3-Dichlorobut-1-ene - CAS No: 926-57-8
Author:
OECD SIDS
Year:
2007
Bibliographic source:
SIDS Initial Assessment Report for 22th SIAM, UNEP Publications

Materials and methods

Principles of method if other than guideline:
other: Calculation with HENRYWIN Program (v3.10), part of EpiSuite
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
1,3-dichlorobut-2-ene
EC Number:
213-138-3
EC Name:
1,3-dichlorobut-2-ene
Cas Number:
926-57-8
Molecular formula:
C4H6Cl2
IUPAC Name:
1,3-dichlorobut-2-ene
Details on test material:
- Name of test material (as cited in study report): 2-Butene, 1,3-dichloro-
- SMILES: C(=CCCL) (C)CL
- MOL FOR: C4 H6 Cl2
- MOL WT: 125.00

Results and discussion

Henry's Law constant H
H:
0.038 atm m³/mol
Temp.:
25 °C
Remarks on result:
other: bond method

Applicant's summary and conclusion