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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 1,5-bis(cyclohexylamino)-9,10-dihydroanthracene-9,10-dione
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: 1,5-bis(cyclohexylamino)-9,10-dihydroanthracene-9,10-dione
- Molecular formula: C26H30N2O2
- Molecular weight: 402.535 g/mol
- Smiles notation: O=C1c2c(c(NC3CCCCC3)ccc2)C(=O)c2cccc(NC3CCCCC3)c12
- InChl: 1S/C26H30N2O2/c29-25-20-14-8-16-22(28-18-11-5-2-6-12-18)24(20)26(30)19-13-7-15-21(23(19)25)27-17-9-3-1-4-10-17/h7-8,13-18,27-28H,1-6,9-12H2
- Substance type: Organic
- Physical state: Solid
Key result
Boiling pt.:
556.54 °C
Decomposition:
no
Remarks on result:
other: Estimated value
Conclusions:
Based on prediction done using MPBPVP v1.43,the Boiling point of 1,5-bis(cyclohexylamino)-9,10-dihydroanthracene-9,10-dione was estimated to be 556.54 ˚C.
Executive summary:

Based on the prediction done using the EPI Suite MPVPBP V1.43,the Boiling point of 1,5-bis(cyclohexylamino)-9,10-dihydroanthracene-9,10-dione was predicted.

The boiling point of 1,5-bis(cyclohexylamino)-9,10-dihydroanthracene-9,10-dione was estimated to be 556.54 ˚C.

Description of key information

Based on prediction done using MPBPVP v1.43,the Boiling point of 1,5-bis(cyclohexylamino)-9,10-dihydroanthracene-9,10-dione was  estimated to be 556.54 ˚C.

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
556.54 °C

Additional information

Based on the prediction done using the EPI Suite MPVPBP V1.43,the Boiling point of 1,5-bis(cyclohexylamino)-9,10-dihydroanthracene-9,10-dione was predicted.

The boiling point of 1,5-bis(cyclohexylamino)-9,10-dihydroanthracene-9,10-dione was estimated to be 556.54 ˚C.