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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Environmental fate & pathways

Henry's Law constant

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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

Reference
Reference Type:
other: EpiSuite Calculation
Title:
Unnamed
Year:
2010
Report date:
2010

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:
3,4-dichlorobut-1-ene
EC Number:
212-079-0
EC Name:
3,4-dichlorobut-1-ene
Cas Number:
760-23-6
Molecular formula:
C4H6Cl2
IUPAC Name:
3,4-dichlorobut-1-ene
Details on test material:
- Name of test material (as cited in study report): 1-Butene, 3,4-dichloro-
- SMILES: C(C(CL)CCL)=C
- MOL FOR: C4 H6 Cl2
- MOL WT: 125.00

Results and discussion

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

Applicant's summary and conclusion