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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:
2017-08-22
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study with acceptable restrictions
Qualifier:
according to
Guideline:
OECD Guideline 103 (Boiling Point)
Deviations:
not specified
GLP compliance:
no
Other quality assurance:
other: ISO 9001:2008
Type of method:
photocell detection
Key result
Boiling pt.:
260.4 °C
Atm. press.:
1 013.25 hPa

Capillary method:

Test

Measured boiling temperature

Measured atmospheric pressure

Boiling temperature corrected to normal atmospheric pressure

 

°C

K

hPa

°C

K

1

258.3

531.5

970

260.3

533.5

2

258.3

531.5

970

260.4

533.6

 

 

 

 

 

 

Mean value

258.3

531.5

970

260.4

533.6

 

Approximate accuracy of the instrument: ± 0.3 K (at 373 K)

Normalization of the boiling point to Tn (BÜCHI M-565):

 

Tn = Tm [1 + (In(1013/P)/11.3)]

Tn: boiling temperature in K at normal atmospheric pressure (1013.25 hPa)

Tm: measured boiling temperature in K

P: atmospheric pressure in hPa

ln: natural logarithm

 

The empirical value of 11.3 (see denominator of the formula above) is reported from Co. BÜCHI and results from the entropy of vaporization of the Clausius-Clapeyron-Equation adapted to the Pictet-Trouton-Law and is applied for polar and nonpolar solvents.

DSC/TGA:

In addition to the capillary tube / photocell method, a DSC / TG measurement was performed to show the characteristics of the test substance during heating.

The DSC diagram (blue dashed line) shows a broad endothermic peak. The simultaneous TG (green continuous line) shows a significant loss of weight in the range of this peak. Details is attached below.

The peak value at 263.8°C (967 hPa) of the DSC measurement is in good accordance with the value of the boiling temperature of the capillary tube / photocell method and therefore confirms this

Conclusions:
A boiling point value of 260.4 °C (533.6 K) at 1013 hPa was determined using a relevant test method and in compliance with ISO 9001:2008. The result is considered to be reliable.

Description of key information

Boiling point: 260.4°C at 1013 hPa (OECD 103)

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
260.4 °C

Additional information

A boiling point value of 260.4 °C (533.6 K) was determined using a relevant test method (capillary tube method with photocell detection) and in compliance with ISO 9001:2008. A confirmatory DSC/TGA analysis was performed; a broad endothermic peak with corresponding weight loss was observed from 240.4°C with the peak value at 263.8°C at 967 hPa was obtained. The result is considered to be reliable.

A predicted boiling point of 240°C was obtained for the substance using a QSAR validation method. In available secondary sources to which reliability could not be assigned, boiling point values of 262°C and 290°C were reported for the substance. A boiling point value of 90°C at lower pressure of 0.7 hPa was also reported for the substance in another secondary source.