Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
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 company data
Title:
Unnamed
Year:
2010
Report date:
2010

Materials and methods

Principles of method if other than guideline:
calculation by EpiSuite v4.00, HENRYWIN v3.20 (bond method)
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
Benzothiazole
EC Number:
202-396-2
EC Name:
Benzothiazole
Cas Number:
95-16-9
Molecular formula:
C7H5NS
IUPAC Name:
benzothiazole
Details on test material:
- Name of test material (as cited in study report): Benzothiazole
SMILES: c1ccc2ncsc2c1
CHEM: Benzothiazole
MOL FOR: C7 H5 N1 S1
MOL WT: 135.18

Results and discussion

Any other information on results incl. tables

Bond Method : 3.74E-007 atm m3/mole (3.79E-002 Pa m3/mole)

Applicant's summary and conclusion