3-(triethoxysilyl)propanethiol

Boiling point

Link to relevant study record(s)

Reference

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2020-10-26 to 2020-11-03

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

guideline study with acceptable restrictions

Remarks:

The study was not conducted in accordance with a known quality system

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling Point)

Version / remarks:

27 July 1995

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.2 (Boiling Temperature)

Version / remarks:

30 May 2008

Deviations:

no

GLP compliance:

no

Type of method:

differential scanning calorimetry

Key result

Boiling pt.:

236 °C

Atm. press.:

1 013 hPa

Preliminary thermogravimetric measurement:

A preliminary thermogravimetric measurement was performed over a temperature range from room temperature to 600°C.

The sample was purged 30 minutes with nitrogen before the start of the measurement (heating ramp). Beginning at approximately 50°C, the mass loss rate increased steadily, reaching a maximum at 213°C. At approximately 240°C the mass loss was complete. There was no residue left.

The thermogravimetric curve is attached.

DSC measurements:

The DSC measurements were performed twice. To determine a possible boiling point more precisely a crucible lid with a hole of 50 μm diameter was used in the measurements. The small hole causes the generation of a defined atmosphere at constant pressure inside the crucible and allows measurements at near equilibrium conditions, thus preventing evaporation of the test material before reaching the boiling point.

The heat flow curves show a small glass transition at -141°C, indicating that the test item had solidified amorphously. Upon further heating, one sharp endothermic peak with a maximum temperature at 239/240°C and an extrapolated onset temperature of 235°C, indicating the boiling temperature at ambient pressure, was registered. Reweighing after the measurement the sample had lost nearly 100% of its mass. There was no discernible residue.

The DSC curves are attached.

The boiling temperature was determined from the extrapolated onset temperature of the endothermic peak. Since the ambient pressure deviates from the standard pressure, the measured boiling temperatures T were converted to normal boiling points Tn by means of the Sidney-Young equation.

T_n = T + (f_T. Δp)

f_T = 0.41 K/kPa

	Extrapolated onset temperature [°C]	Boiling temperature at 1013 hPa [°C]
First run	234.94	235.56
Second run	234.89	235.53
Mean value	-	235.55

 

Normal boiling point: 236°C

Conclusions:

A boiling point value of 236°C at 1013 hPa was determined for the substance using a relevant test method. The result is considered to be reliable.

Description of key information

Boiling point: 236°C at 1013 hPa (OECD 103)

Key value for chemical safety assessment

Boiling point at 101 325 Pa:

236 °C

Additional information

A measured boiling point value of 236°C at 1013 hPa was determined for the submission substance using a differential scanning calorimetry (DSC) method in accordance with OECD Test Guideline 103. The result is considered to be reliable and is selected as key study.

The key study is supported by a predicted boiling point of 240°C at 1013 hPa which was determined for the substance using an appropriate QSAR estimation method.

In a secondary source to which reliability could not be assigned, a boiling point of approximately 114°C at a lower pressure of 19 hPa was reported for the substance.