Registration Dossier

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:
other: as mentioned below
Principles of method if other than guideline:
MPBPVP v1.43 was used to estimate the Boiling point of chemical N-(4-{bis[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene) -N-methylmethanaminium chloride
GLP compliance:
not specified
Type of method:
other: Estimated by calculation
Specific details on test material used for the study:
- Name of test material: Gentian violet
- IUPAC name: N-(4-{bis[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride
- Molecular formula: C25H30ClN3
- Molecular weight: 407.986 g/mole
- Smiles : C(\c1ccc(N(C)C)cc1)(c1ccc(N(C)C)cc1)=C1\C=C\C(=[N+](/C)C)C=C1.[ClH-]
- Inchl: 1S/C25H30N3.ClH/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;/h7-18H,1-6H3;1H/q+1;/p-1
- Substance type: Organic
- Physical state: Solid green powder
Key result
Boiling pt.:
631.92 °C
Remarks on result:
other: estimated data
Conclusions:
Based on prediction done using MPBPVP v1.43, the Boiling point of chemical N-(4-{bis[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene) -N-methylmethanaminium chloride was estimated to be 631.92 ˚C
Executive summary:

Based on the prediction done using the EPI Suite MPVPBP V1.43, the Boiling point of chemical N-(4-{bis[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride was predicted.

The boiling point of chemical N-(4-{bis[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride was estimated to be 631.92 ˚C

Description of key information

Based on prediction done using MPBPVP v1.43, the Boiling point of chemical N-(4-{bis[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride was  estimated to be 631.92 ˚C

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
631.92 °C

Additional information

Based on the prediction done using the EPI Suite MPVPBP V1.43, the Boiling point of chemical N-(4-{bis[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride was predicted.

The boiling point of chemical N-(4-{bis[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride was estimated to be 631.92 ˚C