Registration Dossier
Registration Dossier
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EC number: 615-497-5 | CAS number: 71809-65-9
Melting point / freezing point
Administrative data
- Endpoint:
- melting point/freezing point
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: calculated result with MPBPVP Program (v1.43) by using EPIWIN Suite 4.0 software package of US EPA
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 013
- Report date:
- 2013
Materials and methods
Test guideline
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: (Q)SAR method used
- Deviations:
- yes
- Principles of method if other than guideline:
- Calculation of the melting point with MPBPVP (v1.43) Program (by using EPIWIN Suite 4.0 software package of US EPA)
- GLP compliance:
- no
- Type of method:
- other: (Q)SAR method used
Test material
- Reference substance name:
- potassium {[(2Z)-4-ethoxy-4-oxobut-2-en-2-yl]amino}acetate
- EC Number:
- 615-497-5
- Cas Number:
- 71809-65-9
- Molecular formula:
- C8H12KNO4
- IUPAC Name:
- potassium {[(2Z)-4-ethoxy-4-oxobut-2-en-2-yl]amino}acetate
Constituent 1
Results and discussion
Melting / freezing point
- Melting / freezing pt.:
- ca. 226.13 °C
- Remarks on result:
- other: calculated result by using EPI Suite 4.0 with MPBPVP (v1.43) Program with weighted value of Joback; Gold,Ogle Methods (by using EPIWIN Suite 4.0 software package of US EPA); standard temperatur and standard pressure where estimated for calculation
Applicant's summary and conclusion
- Conclusions:
- calculated result is 226.13 °C (by using EPIWIN Suite 4.0 software package of US EPA with MPBPVP (v1.43) Program with weighted value of Joback; Gold,Ogle Methods)
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