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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
Guideline:
other: as mentioned below
Principles of method if other than guideline:
MPBPVP v1.43 was used to estimate the Boiling point of chemical 3-amino-5-hydroxynaphthalene-2,7-disulphonic acid
GLP compliance:
not specified
Type of method:
other: Estimated by calculation
Specific details on test material used for the study:
- Name of test material: 3-amino-5-hydroxynaphthalene-2,7-disulphonic acid
- IUPAC name: 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid
- Molecular formula: C10H9NO7S2
- Molecular weight: 319.3131 g/mole
- Smiles : c1c2cc(c(cc2c(cc1S(=O)(=O)O)O)N)S(=O)(=O)O
- Inchl: 1S/C10H9NO7S2/c11-8-4-7-5(2-10(8)20(16,17)18)1-6(3-9(7)12)19(13,14)15/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18)
- Substance type: Organic
- Physical state: Solid (Light grey, to, Off-white) powder
Key result
Boiling pt.:
603.18 °C
Remarks on result:
other: Estimated value
Conclusions:
Based on prediction done using MPBPVP v1.43,the Boiling point of chemical 3-amino-5-hydroxynaphthalene-2,7-disulphonic acid was estimated to be 603.18 ˚C
Executive summary:

Based on the prediction done using the EPI Suite MPVPBP V1.43, the Boiling point of chemical 3-amino-5-hydroxynaphthalene-2,7-disulphonic acid was predicted. The boiling point of chemical was estimated to be 603.18 ˚C

Description of key information

Based on prediction done using MPBPVP v1.43,the Boiling point of chemical 3-amino-5-hydroxynaphthalene-2,7-disulphonic acid was  estimated to be 603.18 ˚C

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
603.18 °C

Additional information

Based on the prediction done using the EPI Suite MPVPBP V1.43, the Boiling point of chemical 3-amino-5-hydroxynaphthalene-2,7-disulphonic acid was predicted. The boiling point of chemical was estimated to be 603.18 ˚C