Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Physical & Chemical properties

Boiling point

Currently viewing:

Administrative data

Link to relevant study record(s)

boiling point
Type of information:
Adequacy of study:
key study
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:
See attached QMRF/QPRF
Principles of method if other than guideline:
The result was obtained using an appropriate QSAR method (see attached QMRF and QPRF for details).

The model is an adaptation of the existing SRC model MPBPVPWIN v 1.43, which is a component of the EPI Suite. This existing model is based on fragment values. That is, the chemical structure is broken down into its constituent functional groups, and the contribution of each group toward the overall boiling point is calculated. Certain correction factors may also apply. Whilst this method is good in principle, the model was developed using a wide range of organic chemicals and only a few organosilicon compounds. Therefore, a validation procedure was undertaken to assess the applicability of the model to other organosilicon compounds excluding chlorosilanes and alkoxysilanes. It was noted that the MBBPVPWIN model gave a systematic error; therefore, the current model was developed to correct this. The current model is a linear regression based QSAR, with the boiling point prediction from MPBPVPWIN as the descriptor. The adapted model applies to other organosilanes except chlorosilanes and alkoxysilanes.
Key result
Boiling pt.:
730 °C
Atm. press.:
1 013 hPa
Key result
Boiling pt.:
1 002 K
Atm. press.:
1 013 hPa
A boiling point of 730°C was obtained using an accepted calculation method. The result is considered to be reliable.

Description of key information

Boiling point: 730°C at 1013 hPa (QSAR)

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
730 °C

Additional information

A predicted boiling point of 730°C at 1013 hPa was determined for the substance using a validated QSAR estimation method. Although, the descriptor value for the substance does not completely fall within the defined domain of the prediction, the result is considered sufficient to indicate that the boiling point of the substance is high. Therefore, the result is considered to be reliable and sufficient for assessment purposes.

In available handbooks or collections of reliable data, boiling temperature values of 330°C at 1 mmHg (ca. 133.3 Pa) and 330 -340°C at 1 mmHg were reported for the substance.