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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
Type of method:
differential scanning calorimetry
Boiling pt.:
> 348.3 - < 355 °C
Atm. press.:
1 atm
Boiling pt.:
> 363.1 - < 372.9 °C
Atm. press.:
1 atm

Approximately 15-20% of the product by weight remained as a thin layer at the bottom of the crucible after the testing was complete, this could imply that either one of the components has a boiling point greater than 500 °C or the endotherm(s) could be due to endothermic decomposition.

Material appears to give a broad endotherm with more than one onset value, this could be due to the multi-component nature of the test material. The material was scanned four times in the region of the expected boiling point and the following results were obtained:

 

Run F

Run G

Run H

Run I

Endotherm 1 onset temp. (°C)

354.98

348.32

**

351.93

Endotherm 2 onset temp. (°C)

372.93

363.13

**

366.99

Mass of Sample Used (g)

3.48

3.14

4.16

4.08

Start Temperature (°C)

300

300

300

300

Final Temperature (°C)

500

500

500

500

Scan Rate (K/min)

10

10

10

10

** Due to the baseline curve and variations in the baseline before the endotherm, it was not possible to determine an accurate onset value for Run H

Conclusions:
The test material will be reported as having two boiling point values as follows:
Boiling point 1 348.3 - 355.0°C (Range)
Boiling point 2 363.1 - 372.9°C (Range)
Executive summary:

The boiling point of 1,1"-isopropylidenediferrocene was investigated using Differential Scanning Calorimetry (DSC), this study is assigned a reliability score of 1 in accordance with the criteria for assessing data quality set forth by Klimisch et al (1997).

The test material appears to give a broad endotherm with more than one onset value; the test material was reported as having two boiling point values as follows:

Boiling point 1: 348.3 - 355.0°C

Boiling point 2: 363.1 - 372.9°C

It was noted that approximately 15-20% of the product by weight remained as a thin layer at the bottom of the crucible after the testing was complete. This could imply that either one of the components has a boiling point greater than 500 °C or the endotherm(s) could be due to endothermic decomposition.

Description of key information

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

The test material appears to give a broad endotherm with more than one onset value; the test material was reported as having two boiling point values as follows:

Boiling point 1: 348.3 - 355.0°C (Range)

Boiling point 2: 363.1 - 372.9°C (Range)

It was noted that approximately 15-20% of the product by weight remained as a thin layer at the bottom of the crucible after the testing was complete. This could imply that either one of the components has a boiling point greater than 500 °C or the endotherm(s) could be due to endothermic decomposition.

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
348.3 °C

Additional information

1,1"-isopropylidenediferrocene was reported as having two boiling point values as follows:

Boiling point 1: 348.3 - 355.0°C

Boiling point 2: 363.1 - 372.9°C