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Physical & Chemical properties

Boiling point

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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).
Boiling pt.:
527 K
Atm. press.:
101.3 kPa
Boiling pt.:
254 °C
Atm. press.:
101.3 kPa
Conclusions:
A boiling point value of 527 K (254°C) 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:
02 Jul 2015
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study with acceptable restrictions
Qualifier:
according to
Guideline:
OECD Guideline 103 (Boiling point/boiling range)
Qualifier:
according to
Guideline:
EU Method A.2 (Boiling Temperature)
GLP compliance:
no
Type of method:
photocell detection
Remarks:
capillary tube method
Boiling pt.:
237.6 °C
Atm. press.:
1 013 hPa

Results

 

Test

 

Measured boiling temperature

Measured atmospheric pressure

Boiling temperature corrected to normal atmospheric pressure

 

°C

K

hPa

°C

K

1

236.2

509.4

971

238.1

511.3

2

235.2

508.4

971

237.1

510.3

Mean value

235.7

508.9

237.6

510.8

 

Conclusions:
A boiling point value of 237.6°C at 1013 hPa was determined in a reliable study conducted according to an appropriate test protocol. It was not conducted according to GLP.

Description of key information

237.6°C at 1013 hPa (measured)

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
237.6 °C

Additional information

A boiling point value of 237.6°C (at 1013 hPa) was determined by capillary tube method (photocell detection) according to OECD Guideline 103. This is supported by measured values of 235°C (at 1013 hPa) and 112- 113°C (at 10 mmHg) from secondary sources (company data). The supporting results are in good agreement with the key study, but the reliability of the data is unassignable. A boiling point value of 254°C at 1013 hPa was obtained using an accepted calculation method (QSAR).