N-[3-(trimethoxysilyl)propyl]butylamine

Boiling point

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

boiling point

Type of information:

(Q)SAR

Adequacy of study:

supporting study

Study period:

2022

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).

GLP compliance:

no

Type of method:

other: QSAR

Boiling pt.:

234 °C

Atm. press.:

101.3 kPa

Boiling pt.:

507 K

Atm. press.:

101.3 kPa

Conclusions:

A boiling point value of 234 °C (507K) at 101.3 kPa has been obtained for the test substance using an accepted calculation method. The result is considered reliable.

Reference 2

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

14-Jul-2014 to 19-Aug-2014

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling point/boiling range)

Qualifier:

according to guideline

Guideline:

EU Method A.2 (Boiling Temperature)

GLP compliance:

yes (incl. QA statement)

Remarks:

Ministerium für Arbeit, Integration und Soziales des Landes Nordhein-Westfalen.

Type of method:

differential scanning calorimetry

Boiling pt.:

248 °C

Atm. press.:

1 013 hPa

Results

The DSC measurements were performed twice. A crucible lid with a hole of 50 µm diameter was used in the measurements to determine a

possible boiling point more precisely. The small hole facilitates 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.

 

Upon heating the heat flow curve exhibited a noisy trace and then a single endothermic peak (peak maximum: 255°C/254°C; extrapolated onset temperature: 247.85°C / 247.44°C) indicating the boiling temperature at ambient pressure. After the measurements the sample had lost 97.1 – 97.6% of its original mass. A very little residue could be observed on the bottom of the crucible brink. Due to the multiple-stage course of the thermogravimetric measurement and the approximate 3% residue after the DSC measurement, it was assumed that the temperature given here represents a partial boiling.

 

Since the ambient pressure deviated from the standard pressure, the measured boiling temperatures T were converted to normal boiling points by means of the Sidney-Young equation.

 

Tn= T + (fTx Δp)

 

fT= 0.43 K/kPa

 

Δp = 101.325 kPa – 100.48 kPa = 0.845 kPa

 

	Extrapolated onset temperature (°C)	Boiling temperature (°C) at 1013 hPa
First run	247.85	248.21
Second run	247.44	247.80
Mean value	-	248.01

 

The boiling temperature of the test item was determined by differential scanning calorimetry according to OECD Test Guideline 103 (adopted on 27 July 1995) and EU Method A.2 “Boiling temperature”, Council Regulation (EC) No 440/2008 of 30 May 2008.  

 

Boiling temperature: 248°C (1013 hPa)

Conclusions:

A boiling point value of 248 °C at 1013 hPa was determined in a reliable study conducted according to an appropriate test protocol, and in compliance with GLP.

Description of key information

248 °C at 1013 hPa (OECD 103, differential scanning calorimetry)

Key value for chemical safety assessment

Boiling point at 101 325 Pa:

248 °C

Additional information

The key study is supported by a predicted boiling point value of 234 °C determined using an appropriate calculation method (QSAR).