Registration Dossier
Registration Dossier
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EC number: 639-469-7 | CAS number: 14907-27-8
Henry's Law constant
Administrative data
- Endpoint:
- Henry's law constant
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: see 'Remark'
- Remarks:
- Calculated result with WSKOW (v1.41) program by using EPIWIN Suie 4.0 software package of US EPA.The Estimation Programs Interface (EPI) SuiteTM was developed by the US Environmental Protection Agency's Office of Pollution Prevention and Toxics and Syracuse Research Corporation (SRC). Copyright 2000-2008 United States Environmental Protection Agency for EPI SuiteTM and all component programs. Freely available on EPA´s web page.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other: QSAR-method
- Title:
- Unnamed
- Year:
- 2 011
- Report date:
- 2011
Materials and methods
Test guideline
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: QSAR-method
- Deviations:
- yes
- Remarks:
- QSAR-method
- Principles of method if other than guideline:
- calculation of the Henry´s Law Constant used software program HENRYWIN (v3.20)
- GLP compliance:
- no
Test material
- Reference substance name:
- methyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate hydrochloride
- EC Number:
- 639-469-7
- Cas Number:
- 14907-27-8
- Molecular formula:
- C12H15ClN2O2
- IUPAC Name:
- methyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate hydrochloride
Constituent 1
Results and discussion
Henry's Law constant H
- H:
- 0 Pa m³/mol
- Temp.:
- 25 °C
Any other information on results incl. tables
calculation of the Henry´s Law Constant used software program HENRYWIN (v3.20)
Applicant's summary and conclusion
- Conclusions:
- result of Henry's Law constant shows 6.34E-012 atm-m³/mole at 25°C and 6.43E-007 Pa-m3/mole at 25°C (calculation of the Henry´s Law Constantused software program HENRYWIN (v3.20))
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