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Physical & Chemical properties

Boiling point

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Reference
Endpoint:
boiling point
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
QSAR prediction
Principles of method if other than guideline:
The result was obtained using an appropriate QSAR method (see attached QMRF and QPRF for details).
GLP compliance:
no
Boiling pt.:
> 386 - < 687 °C
Atm. press.:
1 013 hPa
Conclusions:
A boiling point range of 386 to 687 °C at 1013 hPa was obtained for the parent using an appropriate calculation method. The result is considered reliable.

Description of key information

1,2-Ethanediamine, N-{3-(trimethoxysilyl)propyl}-,N-{(ethenylphenyl)methyl}derivate,hydrochlorides (individual components in neat form): 386 to 687 °C (QSAR)

Key value for chemical safety assessment

Additional information

Boling point values (°C) for the individual components (single ionised salt form) were determined using an appropriate calculation method which is considered to be reliable:

N-[3-(trimethoxysilyl)propyl]ethylenediamine monohydrochloride: 386

(2-aminoethyl)[(4-vinylphenyl)methyl][3-(trimethoxysilyl)propyl] amine hydrochloride: 496

N-[3-(trimethoxysilyl)propyl]-N'-(4-vinylbenzyl)-1,2-ethanediamine hydrochloride: 489

N-[3-(trimethoxysilyl)propyl]-N,N'-di(4-vinylbenzyl)-1,2- ethanediamine hydrochloride: 592

N-[3-(trimethoxysilyl)propyl]-N’,N'-di(4-vinylbenzyl)-1,2- ethanediamine hydrochloride: 584

N-[3-(trimethoxysilyl)propyl]-N,N’,N'-tri(vinylbenzyl)-1,2- ethanediamine hydrochloride: 687

These boiling point values represent the individual components in neat form. Since the substance iscomprised of ca. 40% w/w silane and ca. 60% w/w methanol (methanol is an additive necessary to preserve the substance’s stability), the boiling point values quoted for the individual components in neat form should be considered as hypothetical.

 

The boiling point of neat methanol (65 °C) is provided as a supporting study. The presence of the silane components in the solution will have an impact on the boiling point, so this value should also be considered as hypothetical.