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Boiling point

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boiling point
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Study period:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Principles of method if other than guideline:
The best-fitting Halm-Stiel and Antoine vapor pressure equations were used to extrapolate boiling point from vapor pressures measured at temperatures ranging from 69-145 C.
GLP compliance:
Type of method:
other: Extrapolation of lower, ebulliometric boiling points
Key result
Boiling pt.:
220 °C
Atm. press.:
1 013.25 hPa
Key result
Boiling pt.:
206 °C
Atm. press.:
1 013 hPa

Measured vapor pressure data:

T ( C)       P (mm Hg)       P (Pa)

69.0              4.7              631

77.1              6.5              869

89.7             10.8            1445

108.1            23.3           3102

123.7            43.7        5823

131.3            56.9        7583

144.8           90.5        12061

A boiling point value of 206 - 220°C was determined for the substance using a relevant estimation method. The result is considered reliable.

Description of key information

Boiling point: 206 - 220°C at 1013 hPa

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
206 °C

Additional information

A measured boiling point of 206 - 220°C at 1013 hPa was calculated for the substance using an appropriate extrapolation method from the vapour pressure data. The result is considered to be reliable and is selected as key study.

The key study is supported by a predicted boiling point value of 203°C at 1013 hPa which was determined for the substance using a validated QSAR estimation method.

In available secondary sources to which reliability could not be assigned, boiling point values in the range 202 - 220°C at 1013 hPa were reported for the substance.