Registration Dossier
Registration Dossier
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EC number: 601-371-7 | CAS number: 115555-77-6
Melting point / freezing point
Administrative data
- Endpoint:
- melting point/freezing point
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- 1. SOFTWARE: EPIWEB4.11
2. MODEL (incl. version number): MPBPVP v1.43
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL: CCCCN(H)(CL)(CCCCL)CCCC
Data source
Reference
- Reference Type:
- other: (Q)SAR
- Title:
- Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.11 (EPIWEB 4.11)
- Author:
- United States Environmental Protection Agency, Washington, DC, USA.
- Year:
- 2 012
- Bibliographic source:
- MPBPVP (v1.43) Program
Materials and methods
Test guideline
- Guideline:
- other: REACH Guidance on (Q)SAR
- Principles of method if other than guideline:
- QSAR: Adapted Joback Method - Gold and Ogle Method
- Type of method:
- other: (Q)SAR
Test material
- Reference substance name:
- dibutyl(3-chloropropyl)amine hydrochloride
- EC Number:
- 601-371-7
- Cas Number:
- 115555-77-6
- Molecular formula:
- C11 H24 Cl N, HCl
- IUPAC Name:
- dibutyl(3-chloropropyl)amine hydrochloride
- Test material form:
- solid
Constituent 1
- Specific details on test material used for the study:
- CAS Number: 115555-77-6
SMILES: CCCCN(H)(CL)(CCCCL)CCCC
Results and discussion
Melting / freezing point
- Melting / freezing pt.:
- ca. 176 °C
Applicant's summary and conclusion
- Conclusions:
- Mean Melt Pt : 175.77 deg C (Joback; Gold,Ogle Methods)
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