3-(trimethoxysilyl)propiononitrile

Density

Link to relevant study record(s)

Reference

Endpoint:

density, other

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:

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 for density has been developed for, and applies specifically to, organosilicon compounds. It is a multiple linear regression based model with descriptors representing counts of different atoms and groups that may be present in the molecule.

Key result

Type:

density

Density:

0.97 g/cm³

Temp.:

20 °C

Conclusions:

A density value of 0.97 g/cm3 has been determined for the substance using an appropriate estimation method. The result is considered reliable.

Description of key information

Density:  0.97 g/cm³ at 20°C (QSAR)

Additional information

A predicted density of 0.97 g/cm³ at 20°C was determined for the registered substance using a reliable validated QSAR estimation method, the result is selected as key study.

In a secondary source to which reliability could not be assigned, a relative density of 1.054 at 25°C was reported for the substance. Although, the available results are on the different sides of the known water solubility of water (relative density = 1.0), the key result is considered adequate to use for the chemical safety assessment since the prediction is very close to 1.