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Physical & Chemical properties

Melting point / freezing point

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Reference
Endpoint:
melting point/freezing 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 0
Qualifier:
according to
Guideline:
other: Estimated data
Principles of method if other than guideline:
MPBPVP v1.43 was used to estimate the Melting point of disodium [μ-[[7,7'-iminobis[4-hydroxy-3-[[2-hydroxy-5-sulphamoylphenyl]azo]naphthalene-2-sulphonato]](6-)]]dicuprate(2-)
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 the test material (IUPAC name): disodium [μ-[[7,7'-iminobis[4-hydroxy-3-[[2-hydroxy-5-sulphamoylphenyl]azo]naphthalene-2-sulphonato]](6-)]]dicuprate(2-)
- Molecular formula: C32H19Cu2N7Na2O14S4
- Molecular weight: 1026.87 g/mol
- Smiles: c1(S(=O)(=O)[O-])c(\N=N\c2cc(ccc2[O-])S(=O)(=O)N)c([O-])c2ccc(Nc3cc4cc(c(\N=N\c5c(ccc(c5)S(=O)(=O)N)[O-])c(c4cc3)[O-])S(=O)(=O)[O-])cc2c1.[Na+].[Na+].[Cu+2].[Cu+2]
- Inchl: 1S/C32H25N7O14S4.2Cu.2Na/c33-54(44,45)19-3-7-25(40)23(13-19)36-38-29-27(56(48,49)50)11-15-9-17(1-5-21(15)31(29)42)35-18-2-6-22-16(10-18)12-28(57(51,52)53)30(32(22)43)39-37-24-14-20(55(34,46)47)4-8-26(24)41;;;;/h1-14,35,40-43H,(H2,33,44,45)(H2,34,46,47)(H,48,49,50)(H,51,52,53);;;;/q;2*+2;2*+1/p-6/b38-36+,39-37+;;;;
- Substance type: Organic
- Physical state: Solid
Key result
Melting / freezing pt.:
350 °C
Decomposition:
no
Sublimation:
no
Remarks on result:
other: Estimated value
Conclusions:
Based on prediction done using MPBPVP v1.43,the melting point of disodium [μ-[[7,7'-iminobis[4-hydroxy-3-[[2-hydroxy-5-sulphamoylphenyl]azo]naphthalene-2-sulphonato]](6-)]]dicuprate(2-) was estimated to be 350 Deg C.
Executive summary:

Based on the prediction done using the EPI Suite MPVPBP V1.43, the melting point of disodium [μ-[[7,7'-iminobis[4 -hydroxy-3 -[[2 -hydroxy-5 -sulphamoylphenyl]azo]naphthalene-2 -sulphonato]](6 -)]]dicuprate(2 -)was predicted.

The melting point of disodium [μ-[[7,7'-iminobis[4 -hydroxy-3 -[[2 -hydroxy-5 -sulphamoylphenyl]azo]naphthalene-2 -sulphonato]](6 -)]]dicuprate(2 -) was estimated to be 350 ˚C.

Description of key information

Based on prediction done using MPBPVP v1.43,the melting point of disodium [μ-[[7,7'-iminobis[4-hydroxy-3-[[2-hydroxy-5-sulphamoylphenyl]azo]naphthalene-2-sulphonato]](6-)]]dicuprate(2-) was  estimated to be 350 Deg C.

Key value for chemical safety assessment

Melting / freezing point at 101 325 Pa:
350 °C

Additional information

Based on the prediction done using the EPI Suite MPVPBP V1.43, the melting point of disodium [μ-[[7,7'-iminobis[4 -hydroxy-3 -[[2 -hydroxy-5 -sulphamoylphenyl]azo]naphthalene-2 -sulphonato]](6 -)]]dicuprate(2 -)was predicted.

The melting point of disodium [μ-[[7,7'-iminobis[4 -hydroxy-3 -[[2 -hydroxy-5 -sulphamoylphenyl]azo]naphthalene-2 -sulphonato]](6 -)]]dicuprate(2 -) was estimated to be 350 ˚C.