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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:
2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
EU Method A.2 (Boiling Temperature)
Qualifier:
according to
Guideline:
OECD Guideline 103 (Boiling Point)
GLP compliance:
yes (incl. certificate)
Type of method:
differential scanning calorimetry
Decomposition:
yes
Decomp. temp.:
> 423.08 °C
Remarks on result:
not determinable
Remarks:
Material decomposed before reaching boiling point, no boiling point could be determined.

SIWOLOBOFF METHOD)

 No boiling point observed up to the upper temperature limit (250°C) of the Siwoloboff apparatus. Consequently a DSC run was performed due to the greater temperature range.

 

Siwoloboff method test results:

Run Number

Mass of sample Used

(g)

Boiling Temperature

(°C)

1

0.22

N/A

2

N/A

N/A

 

DSC METHOD

Screening Test (Aluminium DSC crucible):1,1"-isopropylidenebis(ethylferrocene) sample was charged to an open aluminium DSC crucible which was then placed in the furnace. The sample was then ramped from 0°C to 500°C at 10 K.min-1.

 

Table of results (Screening Test Aluminium DSC Crucible):

 

Endotherm onset temp. (°C)

Screening Test

423.08

 

On completion of testing a thin layer of sample residue remained at the bottom of the pan, decomposition was suspected. A second run in a sealed gold pan was carried out to determine if the broad endotherm was due to boiling or decomposition.

 

Screening Test (Gold DSC crucible):1,1"-isopropylidenebis(ethylferrocene) sample was charged to a gold (high pressure) DSC crucible which was then sealed and placed in the furnace. The sample was then ramped from 350°C to 500°C at 10 K.min-1.

 

The DSC trace shows that there is an exothermic event in a similar temperature region to that obtained using the aluminium crucible. This fact along with the atypical broad nature of the endotherm and residual sample in the pan obtained, leads to the conclusion that the sample undergoes an endothermic decomposition before boiling.

Conclusions:
The DSC trace shows that there is an exothermic event in the temperature region 423.08°C, the atypical broad nature of the endotherm and residue in the crucible obtained during testing, leads to the conclusion that the sample undergoes an endothermic decomposition before boiling.
Executive summary:

The boiling point of 1,1"-isopropylidenebis(ethylferrocene) was investigated using the DSC method, in accordance with the procedure described in EU Regulation (EC) 440/2008, Annex Part A test A2 and OECD Test Guideline 103. This study was assigned a reliability score of 1 in accordance with the criteria for assessing data quality set forth by Klimisch et al. (1997).

 

The boiling point of 1,1"-isopropylidenebis(ethylferrocene) could not be determined as decomposition of material occurs before boiling.

 

The DSC trace shows that there is an exothermic event in the temperature region 423.08°C, the atypical broad nature of the endotherm and residue in the crucible obtained during testing, leads to the conclusion that the sample undergoes an endothermic decomposition before boiling.

Description of key information

The boiling point of 1,1"-isopropylidenebis(ethylferrocene) was investigated using the Siwoloboff method and differential scanning calorimetry in a study in accordance with the procedure described in EU Regulation (EC) 440/2008, Annex Part A test A1 and OECD Test Guideline 102. This study was assigned a reliability score of 1 in accordance with the criteria for assessing data quality set forth by Klimisch et al. (1997).

 

The DSC trace shows that there is an exothermic event in the temperature region 423.08°C, the atypical broad nature of the endotherm and residue in the crucible obtained during testing, leads to the conclusion that the sample undergoes an endothermic decomposition before boiling.

Key value for chemical safety assessment

Additional information

Due to the decomposition of 1,1"-isopropylidenebis(ethylferrocene) before boiling, it is not possible to determine a boiling point. Onset of decomposition is at approximately 423 °C.