Registration Dossier
Registration Dossier
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EC number: 202-396-2 | CAS number: 95-16-9
Henry's Law constant
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:
- 2 010
- 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
- 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
Constituent 1
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
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