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EC number: 279-116-0 | CAS number: 79234-33-6
Melting point / freezing point
Administrative data
Link to relevant study record(s)
- Endpoint:
- melting point/freezing point
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- Data is from modelling database developed by USEPA
- Qualifier:
- according to guideline
- Guideline:
- other: Estimated data
- Principles of method if other than guideline:
- MPBPVP v1.43 was used to estimate the Melting point of chemical 4-(phenylazo)benzene-1,3-diamine acetate
- GLP compliance:
- not specified
- Type of method:
- other: Estimated by calculation
- Specific details on test material used for the study:
- - Name of test material: 4-(phenylazo)benzene-1,3-diamine acetate
- IUPAC name: 4-(phenylazo)benzene-1,3-diamine acetate
- Molecular formula: C14H16N4O2
- Molecular weight: 272.306 g/mole
- Smiles : c1(ccc(c(N)c1)\N=N\c1ccccc1)N.C(C)(=O)O
- Inchl: 1S/C12H12N4.C2H4O2/c13-9-6-7-12(11(14)8-9)16-15-10-4-2-1-3-5-10;1-2(3)4/h1-8H,13-14H2;1H3,(H,3,4)/b16-15+;
- Substance type: Organic
- Physical state: Solid - Key result
- Melting / freezing pt.:
- 55.8 °C
- Remarks on result:
- other: Estimated value
- Conclusions:
- Based on prediction done using MPBPVP v1.43, the melting point of chemical 4-(phenylazo)benzene-1,3-diamine acetate was estimated to be 4-(phenylazo)benzene-1,3-diamine acetate 55.8 °C.
- Executive summary:
Based on the prediction done using the EPI Suite MPVPBP V1.43, the melting point of chemical 4-(phenylazo)benzene-1,3-diamine acetate was predicted. The melting point of chemical 4-(phenylazo)benzene-1,3-diamine acetate was estimated to be 55.8 °C.
Reference
Description of key information
Based on prediction done using MPBPVP v1.43, the melting point of chemical 4-(phenylazo)benzene-1,3-diamine acetate was estimated to be 4-(phenylazo)benzene-1,3-diamine acetate 55.8 °C.
Key value for chemical safety assessment
- Melting / freezing point at 101 325 Pa:
- 55.8 °C
Additional information
Based on the prediction done using the EPI Suite MPVPBP V1.43, the melting point of chemical 4-(phenylazo)benzene-1,3-diamine acetate was predicted. The melting point of chemical 4-(phenylazo)benzene-1,3-diamine acetate was estimated to be 55.8 °C.
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