1,1''-isopropylidenediferrocene

Boiling point

Link to relevant study record(s)

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

Guideline:

EU Method A.2 (Boiling Temperature)

Qualifier:

according to guideline

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