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Boiling point

Link to relevant study record(s)

Reference

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

experimental dates: 21-23 March 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

The study was conducted according to an internationally recognised method, and under GLP. The substance is considered to be adequately characterised. Therefore full validation applies.

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling Point)

Version / remarks:

27. Jul. 1995

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.2 (Boiling Temperature)

Version / remarks:

Regulation (EC) No 440/2008 of 30 May 2008

Deviations:

no

Principles of method if other than guideline:

Not applicable

GLP compliance:

yes (incl. QA statement)

Remarks:

Landesamt für Umwelt (inspected on 15-16/11/ 2017, signed on 15/05/2018)

Type of method:

differential scanning calorimetry

Specific details on test material used for the study:

Storage condition of test material: The test item was stored in a metal bottle as received in the dark from the day of receipt till the 18. Jan. 2017 at 17.2 °C – 21-5 °C and was then stored in a closed vessel (original metal bottle) at 3.0 °C – 8.0 °C in the dark.

Key result

Boiling pt.:

ca. 158.3 - ca. 201.2 °C

Atm. press.:

ca. 101 325 Pa

Decomposition:

ambiguous

Pre-test following Siwoloboff:

Since 46 °C individual bubbles were visible. The bubble chain was observed at 190 °C, the gas burner was turned down. The boiling chain broke at 181 °C. After cooling down no visual change was recorded.

Security Pre-test for the DSC instrument:

The crucible was found visually unchanged after reaching a temperature of 420°C. After further heating to 600°C and cooling down the crucible was visually unchanged. The weight after recorded with 45.64 mg after reaching 420 °C and 45.61 mg after reaching 600 °C. This corresponds to 45.2% and further1.59% mass loss respectively.

Main test

Observations: In the four measurements, after the test, the crucibles were visually unchanged. The weight loss ranged between 80 and 97%.

No clear thermal event was recorded. A weak endothermic behavior was visible, after removing the drift of the instrument.

In the first measurement only the start-end of the happening are marked.

In the further measurements the range is clearly visible.

Boiling range (°C)	Begin	Peak max	End
Determination 1 *	85.38		179.02
Determination 2	162.15		190.27
Determination 3	171.98	186.73	201.21
Determination 4	158.33		191.91

* not taken for the evaluation

Validity: As the criterion of ≤ 0.5 K was not fulfilled and the test item is an UVCB a boiling range was stated.

Discussion

From the four determinations no clear sharp peak was observed, but a significant deviation of the heat flow. This can be observed when selective vo-latilisation occurs, which is consistent with the UVCB nature of the substance and the weight loss recorded.

Further investigation was conducted around the boiling temperature observed in the preliminary capillary test (quick heating rate) i.e. approx. 181°C: a small and wide. endothermic event was detected and considered to be a representative boiling point value for the test substance. The detected peak maxima of the third determination with 186.73 °C can be compared with the pre-test value, meaning that at this temperature the main component boils.

As the replicates were not within accuracy limits, and according to the UVCB character of the test item, the result should be stated as a range. The boiling range was determined under these circumstances with:

158.33 °C (431.48 K) to 201.21 °C (474.36 K)

However it should be noted that these results may vary slightly with the substance composition.

Executive summary:

The boiling point of the test substance was determined, under GLP, according to OECD 103/EU A2 guideline, via DSC (differential scanning calorimetry).

A pre-test with the capillary method, then four determinations with DSC were performed.

No sharp transition was recorded, but a progressive volatilisation was observed during the experiment. This started from ca 46°C, according to the preliminary test (1st bubbles).

A small endothermic event was detected and considered to be a representative boiling range value for the test substance, with a maximum at ca 186.73 in agreement with the result of the preliminary determination (181°C for bubble chain break).

The boiling range was determined under these circumstances with:

158.33 °C (431.48 K) to 201.21 °C (474.36 K)

Description of key information

Boiling range = 158.3 - 201.2°C

Additional information

A fully reliable experimental study, conducted according to a recognized OECD/EC method and under GLP, is available. It is considered as a key study. As the result is expressed as a range, it cannot be retained as key data.

Note that this parameter may show some variations, due to the UVCB nature of the substance.