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Boiling point

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Reference
Endpoint:
boiling point
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2020-06-23 to 2020-07-09
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study with acceptable restrictions
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.:
199 °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 177°C.

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 -138°C, indicating that the test item had solidified amorphously. Upon further heating, one sharp endothermic peak with a maximum temperature at 202°C and an extrapolated onset temperature of 199°C, indicating the boiling temperature at ambient pressure, was registered. Reweighing after the measurement the sample had lost approx. 97 % of its mass.

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.

Tn = T + (fT. Δp)

fT = 0.38 K/kPa

 

Extrapolated onset temperature [°C]

Boiling temperature at 1013 hPa [°C]

First run

198.59

198.69

Second run

198.74

198.84

Mean value

-

198.77

 

Normal boiling point: 199°C

Conclusions:
A boiling point value of 199°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: 199°C at 1013 hPa (OECD 103)

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
199 °C

Additional information

A boiling point value of 199°C at 1013 hPa was determined for the substance using Differential Scanning Calorimetry (DSC) in accordance with OECD Test Guideline 103. The result was considered to be reliable and is selected as key study.

The key study was supported by a boiling point value of 199°C at 1013 hPa which was reported for the substance in a collection of reliable data that has been subject to peer review and in which the original data sources are traceable.

In available secondary sources to which reliability could not be assigned, boiling point values of 195°C to 255°C at 1013 hPa, 195°C at 999.92 hPa and 100°C at 53.3 hPa were reported for the registered substance. Values of 91°C and 100°C were reported for the substance with no atmospheric pressure stated.

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