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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 chromium(3+) ion hydrogen bis(1-(3-chlorophenyl)-4-[(E)-2-(5-methanesulfonyl -2-oxidophenyl)diazen -1-yl]-3-methyl-1H-pyrazol-5-olate)
GLP compliance:
not specified
Type of method:
other: Estimated by calculation
Specific details on test material used for the study:
- Name of test material : chromium(3+) ion hydrogen bis(1-(3-chlorophenyl)-4-[(E)-2-(5-methanesulfonyl-2-oxidophenyl)diazen -1-yl]-3-methyl-1H-pyrazol-5-olate)
- Common name : Hydrogen bis[2-(3-chlorophenyl)-2,4-dihydro-4-[[2-hydroxy-5-mesylphenyl]azo]-5-methyl-3H-pyrazol-3-onato(2-)]chromate(1-)
- Molecular formula : C34H27Cl2CrN8O8S2
- Molecular weight : 862.669 g/mol
- Smiles notation : c1(cccc(c1)Cl)N1N=C([C@@-](C1=O)\N=N\c1c(ccc(S(C)(=O)=O)c1)[O-])C.[Cr+3].O=S(c1cc(c(cc1)[O-])\N=N\[C@@-]1C(=NN(C1=O)c1cc(ccc1)Cl)C)(C)=O
- InChl : 1S/2C17H14ClN4O4S.Cr/c2*1-10-16(17(24)22(21-10)12-5-3-4-11(18)8-12)20-19-14-9-13(27(2,25)26)6-7-15(14)23;/h2*3-9,23H,1-2H3;/q2*-1;+3/p-1/b2*20-19+;
- Substance type : Organic
- Physical state : Solid
Key result
Boiling pt.:
1 100 °C
Decomposition:
no
Remarks on result:
other: Estimated value
Conclusions:
Based on prediction done using MPBPVP v1.43, the Boiling point of chromium(3+) ion hydrogen bis(1-(3-chlorophenyl)-4-[(E)-2-(5-methanesulfonyl- 2-oxidophenyl)diazen -1-yl]-3-methyl-1H-pyrazol-5-olate) was estimated to be 1100˚C.
Executive summary:

Based on the prediction done using the EPI Suite MPVPBP V1.43, the Boiling point of chromium(3 +) ion hydrogen bis(1 -(3 -chlorophenyl)-4 -[(E)-2 -(5 -methanesulfonyl-2 -oxidophenyl)diazen -1 -yl]-3 -methyl-1H-pyrazol-5 -olate) was predicted.

The boiling point of chromium(3 +) ion hydrogen bis(1 -(3 -chlorophenyl)-4 -[(E)-2 -(5 -methanesulfonyl-2 -oxidophenyl)diazen -1 -yl]-3 -methyl-1H-pyrazol-5 -olate) was estimated to be 1100˚C.

Description of key information

Based on prediction done using MPBPVP v1.43, the Boiling point of  chromium(3 +) ion hydrogen bis(1 -(3 -chlorophenyl)-4 -[(E)-2 -(5 -methanesulfonyl- 2 -oxidophenyl)diazen -1 -yl]-3 -methyl-1H-pyrazol-5 -olate) was estimated to be 1100˚C.

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
1 100 °C

Additional information

Based on the prediction done using the EPI Suite MPVPBP V1.43, the Boiling point of chromium(3 +) ion hydrogen bis(1 -(3 -chlorophenyl)-4 -[(E)-2 -(5 -methanesulfonyl-2 -oxidophenyl)diazen -1 -yl]-3 -methyl-1H-pyrazol-5 -olate) was predicted.

The boiling point of chromium(3 +) ion hydrogen bis(1 -(3 -chlorophenyl)-4 -[(E)-2 -(5 -methanesulfonyl-2 -oxidophenyl)diazen -1 -yl]-3 -methyl-1H-pyrazol-5 -olate) was estimated to be 1100˚C.