Registration Dossier

Diss Factsheets

Physical & Chemical properties

Boiling point

Currently viewing:

Administrative data

Link to relevant study record(s)

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 1,4-bis[(2-methylphenyl)amino]anthraquinone
GLP compliance:
not specified
Type of method:
other: Estimated by calculation
Specific details on test material used for the study:
- Name of test material : 1,4-bis[(2-methylphenyl)amino]anthraquinone
- Molecular formula : C28H22N2O2
- Molecular weight : 418.494 g/mol
- Smiles notation : c1cc2C(=O)c3c(C(=O)c2cc1)c(Nc1ccccc1C)ccc3Nc1c(cccc1)C
- InChl : 1S/C28H22N2O2/c1-17-9-3-7-13-21(17)29-23-15-16-24(30-22-14-8-4-10-18(22)2)26-25(23)27(31)19-11-5-6-12-20(19)28(26)32/h3-16,29-30H,1-2H3
- Substance type : Organic
- Physical state : Solid
Key result
Boiling pt.:
598.47 °C
Decomposition:
no
Remarks on result:
other: Estimated value
Conclusions:
Based on prediction done using MPBPVP v1.43, the Boiling point of 1,4-bis[(2-methylphenyl)amino]anthraquinone was estimated to be 598.47 ˚C.
Executive summary:

Based on the prediction done using the EPI Suite MPVPBP V1.43, the Boiling point of 1,4 -bis[(2 -methylphenyl)amino]anthraquinone was predicted.

The boiling point of 1,4 -bis[(2 -methylphenyl)amino]anthraquinone was estimated to be 598.47 ˚C.

Description of key information

Based on prediction done using MPBPVP v1.43, the Boiling point of 1,4-bis[(2-methylphenyl)amino]anthraquinone was estimated to be 598.47 Deg C.

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
598.47 °C

Additional information

Based on the prediction done using the EPI Suite MPVPBP V1.43,the Boiling point of 1,4 -bis[(2 -methylphenyl)amino]anthraquinone was predicted.

The boiling point of 1,4 -bis[(2 -methylphenyl)amino]anthraquinone was estimated to be 598.47 ˚C.

Categories Display