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Boiling point

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Reference
Endpoint:
boiling 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
Reference:
Composition 1
Composition 2
Qualifier:
according to
Guideline:
other: as mentioned below
Principles of method if other than guideline:
MPBPVP v1.43 was used to estimate the Boiling point of chemical 5-acetamido-2-aminobenzenesulphonic acid
GLP compliance:
not specified
Type of method:
other: Estimated by calculation
Test material information:
Composition 1
Specific details on test material used for the study:
- Name of test material: 5-acetamido-2-aminobenzenesulphonic acid
- IUPAC name: 2-amino-5-acetamidobenzene-1-sulfonic acid
- Molecular formula: C8H10N2O4S
- Molecular weight: 230.243 g/mole
- Smiles :O=C(Nc1ccc(N)c(S(=O)(=O)O)c1)C
- Inchl: 1S/C8H10N2O4S/c1-5(11)10-6-2-3-7(9)8(4-6)15(12,13)14/h2-4H,9H2,1H3,(H,10,11)(H,12,13,14)
- Substance type: Organic
- Physical state: Solid crystal powder (white to yellowish grey)
Key result
Boiling pt.:
482.7 °C
Remarks on result:
other: Estimated value
Conclusions:
Based on prediction done using MPBPVP v1.43, the Boiling point of chemical 5-acetamido-2-aminobenzenesulphonic acid was estimated to be 482.70 ˚C
Executive summary:

Based on the prediction done using the EPI Suite MPVPBP V1.43, the Boiling point of chemical 5-acetamido-2-aminobenzenesulphonic acid was predicted. The boiling point of chemical 5-acetamido-2-aminobenzenesulphonic acid was estimated to be 482.70 ˚C

Description of key information

Based on prediction done using MPBPVP v1.43, the Boiling point of chemical  5-acetamido-2-aminobenzenesulphonic acid was  estimated to be 482.70 ˚C

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
482.7 °C

Additional information

Based on the prediction done using the EPI Suite MPVPBP V1.43, the Boiling point of chemical 5-acetamido-2-aminobenzenesulphonic acid was predicted. The boiling point of chemical 5-acetamido-2-aminobenzenesulphonic acid was estimated to be 482.70 ˚C