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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 4,4',4''-Triaminotrityl alcohol
GLP compliance:
not specified
Type of method:
other: Estimated by calculation
Specific details on test material used for the study:
- Name of test material : 4,4',4''-Triaminotrityl alcohol
- Molecular formula : C19H19N3O
- Molecular weight : 305.379 g/mol
- Smiles notation : C(c1ccc(N)cc1)(c1ccc(N)cc1)(c1ccc(N)cc1)O
- InChl : 1S/C19H19N3O/c20-16-7-1-13(2-8-16)19(23,14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,23H,20-22H2
- Substance type: Organic
- Physical state: Solid
Key result
Boiling pt.:
516.82 °C
Decomposition:
no
Remarks on result:
other: Estimated value
Conclusions:
Based on prediction done using MPBPVP v1.43, the Boiling point of 4,4',4''-Triaminotrityl alcohol was estimated to be 516.82 ˚C.
Executive summary:

Based on the prediction done using the EPI Suite MPVPBP V1.43, the Boiling point of 4,4',4''-Triaminotrityl alcohol was predicted.

The boiling point of 4,4',4''-Triaminotrityl alcohol was estimated to be 516.82 ˚C.

Description of key information

Based on prediction done using MPBPVP v1.43, the Boiling point of 4,4',4''-Triaminotrityl alcohol was estimated to be 516.82 Deg C.

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
516.82 °C

Additional information

Based on the prediction done using the EPI Suite MPVPBP V1.43, the Boiling point of 4,4',4''-Triaminotrityl alcohol was predicted.

The boiling point of 4,4',4''-Triaminotrityl alcohol was estimated to be 516.82 ˚C.