N-[3-(triethoxysilyl)propyl]ethylenediamine

Boiling point

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

21-Jul-2014

Reliability:

2 (reliable with restrictions)

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:

no

Type of method:

photocell detection

Remarks:

capillary tube method

Key result

Boiling pt.:

270.3 °C

Atm. press.:

1 013 hPa

Results

At small deviations from the normal pressure (max. ± 5 kPa) the boiling temperatures are normalized to T_nby means of the following number-value equation by Sidney Young:

 

T_n= T + ( f_Tx delta p)

delta p = (101.325 – p)

p = pressure measurement in kPa

f_T= rate of change of boiling temperature with pressure in K / kPa = 0.41

T = measured boiling temperature in K

T_n= boiling temperature corrected to normal pressure in K

 

Correction factor (f_T) according to EC-Guideline.

 

Test	Measured boiling temperature		Measured atmospheric pressure	Boiling temperature corrected to normal atmospheric pressure
	°C	K	kPa	°C	K
1	264.7	537.9	96.0	267.1	540.3
2	271.1	544.3	96.0	273.5	546.7
Mean value	267.9	541.1	96.0	270.3	543.5

 

 

Conclusions:

A boiling point value of 270.3 °C at 1013 hPa was determined in a reliable study conducted according to an appropriate test protocol. It was not compliant with GLP.

Reference 2

Endpoint:

boiling point

Type of information:

(Q)SAR

Adequacy of study:

supporting 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 model is an adaptation of the existing SRC model MPBPVPWIN v 1.42, 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 other organosilicon compounds. It was noted that the MBBPVPWIN model gave a systematic error; therefore, the current model was developed to correct this.

Boiling pt.:

283 °C

Atm. press.:

101.3 kPa

Conclusions:

A boiling point value of 283°C 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

N-[3-(triethoxysilyl)propyl]ethylenediamine: 270.3°C at 1013 hPa (measured)

Key value for chemical safety assessment

Boiling point at 101 325 Pa:

270.3 °C

Additional information

A boiling point value of 270.3°C at 1013 hPa was determined by capillary tube method (photocell detection) according to OECD Guideline 103. In a supporting study a boiling point value of 283°C at 1013 hPa was obtained using an accepted calculation method (QSAR). The result is considered to be reliable. The boiling point value is also supported by a measured value of >100°C at 3 Pa.