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Boiling point

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Endpoint:
boiling point
Type of information:
experimental study
Adequacy of study:
key study
Study period:
06 Jul 2015
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study with acceptable restrictions
Qualifier:
according to
Guideline:
OECD Guideline 103 (Boiling point/boiling range)
Qualifier:
according to
Guideline:
EU Method A.2 (Boiling Temperature)
GLP compliance:
no
Type of method:
photocell detection
Remarks:
capillary tube method
Boiling pt.:
210.8 °C
Atm. press.:
1 013 hPa

Results

Capillary Tube / Photocell Detection Method

Test

Measured boiling point

Measured atmospheric pressure

Boiling temperature corrected to normal atmospheric pressure

 

°C

K

hPa

°C

K

1

208.9

482.1

969

210.8

484.0

2

208.8

428.1

969

210.7

483.9

 

 

 

 

 

 

Mean value

208.9

482.1

 

210.8

484.0

 

DSC / TG

The DSC diagram showed an endothermic peak which represents the boiling process. The simultaneous TG showed a significant loss of weight in the range of this peak. The uncorrected boiling temperature (peak onset: 213.4 °C at 965 hPa) of this measurement is in a similar range of the values of the capillary tube / photocell method.

 

Conclusions:
A boiling point value of 210.8°C at 1013 hPa was determined in a reliable study conducted according to an appropriate test protocol. It was not conducted according to GLP.
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
Justification for type of information:
QSAR prediction
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
Boiling pt.:
195 °C
Atm. press.:
1 013 hPa
Boiling pt.:
468 K
Atm. press.:
1 013 hPa
Conclusions:
A boiling point value of 195°C at 1013 hPa was obtained using an accepted calculation method. The result is considered to be reliable.

Description of key information

Trimethoxy(2,4,4-trimethylpentyl)silane): 210.8 °C at 1013 hPa (measured)

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
210.8 °C

Additional information

A boiling point value of 210.8 °C (at 1013 hPa) was determined by photocell detection (capillary method) according to EU Test Method A.2. This is supported by a predicted boiling point of 195°C determined for the substance using a validated QSAR method and a measured boiling point of 90°C (at lower pressure of 13 hPa) obtained from a secondary source (company data).