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Melting point / freezing point

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Reference
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.

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.