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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
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
GLP compliance:
not specified
Type of method:
other: Estimated by calculation
Specific details on test material used for the study:
- Name of test material (as cited in study report): 4-nitrobenzene-1,3-diamine
- Molecular formula: C6H7N3O2
- Molecular weight: 153.14 g/mol
- Smiles notation: c1(c(cc(N)cc1)N)[N+](=O)[O-]
- InChl : 1S/C6H7N3O2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H,7-8H2
- Substance type: organic
- Physical state: Solid
Key result
Boiling pt.:
326.23 °C
Remarks on result:
other: Estimated value
Conclusions:
Based on prediction done using MPBPVP v1.43,the Boiling point of chemical 4-nitrobenzene-1,3-diamine was estimated to be 326.23 ˚C
Executive summary:

Based on the prediction done using the EPI Suite MPVPBP V1.43,the Boiling point of chemical 4-nitrobenzene-1,3-diamine was predicted.

The boiling point of chemical 4-nitrobenzene-1,3-diamine was estimated to be 326.23 ˚C

Description of key information

Based on the prediction done using the EPI Suite MPVPBP V1.43,the Boiling point of chemical 4-nitrobenzene-1,3-diamine was predicted.

The boiling point of chemical 4-nitrobenzene-1,3-diamine was estimated to be 326.23 ˚C

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
326.23 °C

Additional information

Based on the prediction done using the EPI Suite MPVPBP V1.43,the Boiling point of chemical4-nitrobenzene-1,3-diaminewas predicted.

The boiling point of chemical4-nitrobenzene-1,3-diaminewas estimated to be 326.23 ˚C

Other supporting study from authoritative database indicates the boiling point of chemical  4-nitrobenzene-1,3-diamine was estimated to be 430.2±25.0 °C at 760 torr pressure.