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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 4-hydroxy-7-[(5-hydroxy-7-sulfonaphthalen-2-yl)amino]naphthalene-2-sulfonic 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 : 4-hydroxy-7-[(5-hydroxy-7-sulfonaphthalen-2-yl)amino]naphthalene-2-sulfonic acid
- Molecular formula : C20H15NO8S2
- Molecular weight : 461.47 g/mol
- Smiles notation : O=S(=O)(O)c1cc(O)c2c(cc(Nc3ccc4c(cc(S(=O)(=O)O)cc4O)c3)cc2)c1
- InChl : 1S/C20H15NO8S2/c22-19-9-15(30(24,25)26)7-11-5-13(1-3-17(11)19)21-14-2-4-18-12(6-14)8-16(10-20(18)23)31(27,28)29/h1-10,21-23H,(H,24,25,26)(H,27,28,29)
- Substance type: Organic
- Physical state: Solid
Key result
Boiling pt.:
772.18 °C
Decomposition:
no
Remarks on result:
other: Estimated value
Conclusions:
Based on prediction done using MPBPVP v1.43,the Boiling point of 4-hydroxy-7-[(5-hydroxy-7-sulfonaphthalen-2-yl)amino]naphthalene-2-sulfonic acid was estimated to be 772.18˚C.
Executive summary:

Based on the prediction done using the EPI Suite MPVPBP V1.43,the Boiling point of 4-hydroxy-7-[(5-hydroxy-7-sulfonaphthalen-2-yl)amino]naphthalene-2-sulfonic acid was predicted.

The boiling point of 4-hydroxy-7-[(5-hydroxy-7-sulfonaphthalen-2-yl)amino]naphthalene-2-sulfonic acid was estimated to be 772.18˚C.

Description of key information

Based on prediction done using MPBPVP v1.43,the Boiling point of 4 -hydroxy-7 -[(5 -hydroxy-7 -sulfonaphthalen-2 -yl)amino]naphthalene-2 -sulfonic acid was  estimated to be 772.18 Deg C.

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
772.18 °C

Additional information

Based on the prediction done using the EPI Suite MPVPBP V1.43,the Boiling point of 4-hydroxy-7-[(5-hydroxy-7-sulfonaphthalen-2-yl)amino]naphthalene-2-sulfonic acid was predicted.

The boiling point of 4-hydroxy-7-[(5-hydroxy-7-sulfonaphthalen-2-yl)amino]naphthalene-2-sulfonic acid was estimated to be 772.18˚C.