Triethoxy(vinyl)silane

Boiling point

Link to relevant study record(s)

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

Principles of method if other than guideline:

The result was obtained using an appropriate QSAR method (see attached QMRF and QPRF for details).
The current model is closely related to the following models for the calculation of the boiling point of other classes of organosilicon compounds:
• Prediction of the boiling point of chlorosilanes (PFA Report PFA.151.003.002.002).
• Prediction of the boiling point of other organosilicon substances excluding chlorosilanes and trialkoxysilanes (PFA Report PFA.151.003.002.003).
The model is an adaptation of the existing SRC model MPBPVPWIN v 1.43, which is a component of the EPIWIN Suite (EPIWIN 2009 and Meylan 1995). It 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 alkoxysilane compounds. It was noted that the MBBPVPWIN model gave a systematic error; therefore, the current model was developed to correct this.

GLP compliance:

no

Key result

Boiling pt.:

169 °C

Atm. press.:

101.3 kPa

Boiling pt.:

442 K

Atm. press.:

101.3 kPa

Conclusions:

A boiling point value of 169°C (442 K) at 101.3 kPa has been obtained for the test substance using an accepted calculation method. The result is considered reliable.

Description of key information

169°C at 1013 hPa (QSAR)

Key value for chemical safety assessment

Boiling point at 101 325 Pa:

169 °C

Additional information

A predicted boiling point value of 169°C (442 K) at 1013 hPa was obtained using an appropriate calculation method. The result is considered to be reliable. This value is supported by measured values of 156-161°C at 1013 hPa from secondary sources (handbook literature and company data). The supporting results are in good agreement with the key study.