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Diss Factsheets

Physical & Chemical properties

Boiling point

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Administrative data

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Reference
Endpoint:
boiling point
Type of information:
experimental study
Adequacy of study:
key study
Study period:
no data
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
comparable to guideline study with acceptable restrictions
Remarks:
Procedure described with sufficient details, but single run.
Qualifier:
equivalent or similar to guideline
Guideline:
OECD Guideline 103 (Boiling Point)
GLP compliance:
no
Type of method:
ebulliometer
Key result
Boiling pt.:
458.09 K
Atm. press.:
101 325 Pa
Remarks on result:
other:
Remarks:
extrapolated
Boiling pt.:
184.9 °C
Atm. press.:
101.325 kPa
Remarks on result:
other:
Remarks:
extrapolated (in °C)
Boiling pt.:
457.66 K
Atm. press.:
101.1 kPa
Remarks on result:
other:
Remarks:
measured
Boiling pt.:
184.5 °C
Atm. press.:
101.1 kPa
Remarks on result:
other:
Remarks:
measured (in °C)

Bubble-Point Vapor Pressure Data:

 T (K)  VP (kPa)
 393.98  15.0
 396.02  16.6
 401.42  20.6
 413.88  30.3
 418.34  34.8
 426.86  44.9
 431.22  50.7
 434.56  55.8
 436.68  59.2
 439.31  63.2
441.13  66.6
 442.70  69.5
 442.81  69.8
 444.37  72.9
 446.13  75.9
 445.73  75.1
 450.08  83.9
 457.66  101.1

A nonlinear regression method is used to fit the vapor pressure data to the Antoine equation:

ln VP (kPa) = 11.7067 - (2158.84 / (T (K) - 153.53))

where VP is the vapor pressure, and T is the equilibrium temperature.

average absolute deviation (AAD) = 0.21 kPa

average relative deviation (ARD) = 0.57%

The boiling point was extrapolated from the above equation to close normal atmospheric pressure of 101.325 kPa

Conclusions:
The boiling point of test item was determined as 458.1 K (= 184.9°C).
Executive summary:

The boiling point of the test substance was determined from the vapour pressure study, measured with a procedure similar to the OECD104 guideline, dynamic (ebulliometer) method.

Eighteen measurements were recorded between ca 15.0 and 101.1 kPa. The coefficients of the non-linear Antoine's equation between VP and 1/T were calculated.

From this relationship, the boiling point of the substance, extrapolated to close normal atmospheric pressure is 458.1 K, or 184.9°C.

Description of key information

The boiling point of test item was determined as 458.1 K (= 184.9°C).

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
184.9 °C

Additional information

A publication was identified, providing a reliable description of the determination, comparable to a guideline study. Despite restrictions due to single measurement, it is considered as key data.