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Physical & Chemical properties

Boiling point

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Endpoint:
boiling point
Type of information:
experimental study
Adequacy of study:
supporting study
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
documentation insufficient for assessment
Qualifier:
according to
Guideline:
other: DIN 51751
GLP compliance:
not specified
Type of method:
distillation method
Boiling pt.:
238 °C

No values are given for pressure but it is assumed to be measured at normal atmospheric pressure (1013 hPa).

Conclusions:
A boiling point of 238°C is reported in secondary literature (MSDS). The original reference was not available for review and no further information is available. The reliability of this result is not assignable.
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.:
233.85 °C
Atm. press.:
101.3 kPa
Boiling pt.:
507 K
Atm. press.:
101.3 kPa
Conclusions:
A boiling point value of 233.85°C (507K) at 101.3 kPa has been obtained for the test substance using an accepted calculation method. The result is considered reliable.
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:
OECD Guideline 103 (Boiling point/boiling range)
Qualifier:
according to
Guideline:
EU Method A.2 (Boiling Temperature)
GLP compliance:
yes (incl. certificate)
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

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
248 °C

Additional information

A boiling point value of 248°C (1013 hPa) was determined by differential scanning calorimetry according to EU Test Method A.2. This is supported by a predicted boiling point value of 233.85°C determined for the substance using an appropriate calculation method and a measured value of 238°C from a secondary source (company data).