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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 2-amino-5-hydroxynaphthalene-1,7-disulfonic 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: 2-amino-5-hydroxynaphthalene-1,7-disulfonic acid
- Molecular formula: C10H9NO7S2
- Molecular weight: 319.3131 g/mol
- Smiles notation: c1cc(c(c2c1c(cc(c2)S(=O)(=O)O)O)S(=O)(=O)O)N
- InChl: 1S/C10H9NO7S2/c11-8-2-1-6-7(10(8)20(16,17)18)3-5(4-9(6)12)19(13,14)15/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18)
- Physical state: Solid
- Substance type: Organic
Key result
Boiling pt.:
603.18 °C
Decomposition:
no
Remarks on result:
other: Estimated value
Conclusions:
Based on prediction done using MPBPVP v1.43,the Boiling point of chemical 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 2-amino-5-hydroxynaphthalene-1,7-disulfonic acid was predicted.

The boiling point of 2-amino-5-hydroxynaphthalene-1,7-disulfonic acid was estimated to be 603.18 ˚C.

Description of key information

Based on prediction done using MPBPVP v1.43,the Boiling point of chemical was  estimated to be 603.18 Deg 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 2-amino-5-hydroxynaphthalene-1,7-disulfonic acid was predicted.

The boiling point of 2-amino-5-hydroxynaphthalene-1,7-disulfonic acid was estimated to be 603.18 ˚C.