Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Physical & Chemical properties

Boiling point

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
boiling point
Type of information:
experimental study
Adequacy of study:
key study
Study period:
From 9th May to 7th June 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Justification for type of information:
The study was conducted according to an internationally recognised method. The substance is considered to be adequately characterised. Therefore full validation applies.
Qualifier:
according to guideline
Guideline:
OECD Guideline 103 (Boiling Point)
Version / remarks:
1995
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.2 (Boiling Temperature)
Version / remarks:
2008
Deviations:
no
Principles of method if other than guideline:
Not applicable
GLP compliance:
yes (incl. QA statement)
Remarks:
inspected on 13 and 14 October 2014 / signed on 08 April 2015
Type of method:
differential scanning calorimetry
Key result
Boiling pt.:
ca. 199.97 °C
Atm. press.:
ca. 101 325 Pa
Remarks on result:
other: The boiling point range: 199.97 (473.12 K) to 202.87 (476.02 K). The initial boiling point was determined as the lowest value under these circumstances as 199.97 °C. The test item showed signs of changes in its composition when increasing the temperature.

Pre-Test following Siwoloboff

Individual bubble was visible since 42 °C. Since 76 °C to 182 °C quicklier rising bubbles were visible. Instable boiling chain was visible at 196 °C. A stable boiling chain was observed at 210 °C and the boiling chain broke at 203 °C.

After cooling down no signs of changes were visible.

Security Pre-test for the DSC instrument

The crucible was heated up to 420°C. After cooling down the crucible was visual unchanged. The weight was recorded with 46.07 mg (i.e. 0.00 mg test item left). A golden brown residue was left in the crucible. In this case the crucible was already empty after reaching 420°C no further heating needed to be performed.

Calibration

After calibration with indium and zinc the measurement of indium yielded the values:

  Table.- Values DSC Indium

Expected

Melting point

Measured

Melting point

Expected

Energy

Measured

Energy

Assessment

156.6 ± 1.0°C

156.31 °C

28.45 ± 1.0 J/g

29.02 J/g

OK

The measurement of indium after calibration met the validity criteria.

DSC Measurement of the Test Item

First determination:

Temperature[°C]

Energy

Boiling Point

200.84 (Onset)

36.21[J/g]


Second determination:

Temperature[°C]

Energy

Boiling Point

202.87 (Onset)

-39.47[J/g]

As the deviation between the first and second determination was >0.5 °C a third measurement was performed.

Third dertermination:

Temperature[°C]

Energy

Boiling Point

199.97 (Onset)

57.93[J/g]

Observations:

Mass test item

Mass crucible (before measurement):

Mass crucible (after measurement):

Observations

First

Determination

2.49 mg

48.60 mg

46.22 mg

After the test the crucible was visually unchanged. The crucible was opened and no visible residue was left.

Second

Determination

 

2.63 mg

48.51 mg

45.84 mg

Third

Determination

 

2.40 mg

48.63 mg

46.50

After the test the crucible was visually unchanged

Interpretation of the measurements:

In all three runs one event was detected.

In the first and third determination the event is endothermic, in the second determination exothermic.

In the first and third determination a baseline reduction was observed.

In the security Pre-test a colour change was visible, which is a sign for composition change.

The exothermic peak and baseline reduction support this.

For the second measurement a bit more test item was used this might have caused the exothermic event.

Based on these observations an initial boiling point with signs of composition changes when increasing the temperature of the test item should be stated. The signs of changes on composition are baseline reduction and the observation from the muffle furnace.

For evaluation the onset of all three determinations were taken.

Presentation of results

Table.- Values DSC measurements

Boling with signs of decomposition

in °C

in K

1. Determination

200.84

473.99

2. Determination

202.87

476.02

3 Determination

199.97

473.12

Validity

The criterion of 0.5 °C between the determinations cannot be fulfilled. Therefore, a range should be stated. The initial boiling point can be stated as the lowest value.

Discussion

The boiling point was determined via DSC (differential scanning calorimetry).

In all three runs one event was detected, between 199.97 and 202.87°C.

However, considering the test item is an UVCB substance, the transition is expected to vary from batch-to-batch, therefore it is considered more appropriate to express the final result as an approximate initial boiling point, instead of a range, considering the range would apply to the present batch only, and is not specifications, which is the responsibility of the manufacturer.

Therefore the initial boiling point was determined as the lowest value under these circumstances as 199.97 °C (473.12 K) with composition changes.

 No observations were made which might cause doubts on the validity of the study outcome. Therefore, the result of the study is considered valid.

Conclusions:
The initial boiling point was determined as the lowest value under these circumstances as: 199.97 °C (473.12 K).


Executive summary:

The initial boiling point of the test item was measured under GLP according to OECD 103 / EU A2 guideline, using Differential Scanning Calorimetry.

One event could be detected in all runs. In the first and third measurement the event was endotherm and in the second exothermic. The boiling point was determined under these circumstances in a range of: 199.97 (473.12 K) to 202.87 (476.02 K). The initial boiling point was determined as the lowest value under these circumstances as: 199.97 °C (473.12 K). These values are the results of three independent determinations.

The test item showed signs of changes in its composition when increasing the temperature indicated by colour change in the Pre-test for security, baseline reduction, and exothermic behaviour in one DSC measurement.

Description of key information

The boiling point was determined under these circumstances in a range of: 199.97 (473.12 K) to 202.87 (476.02 K). The initial boiling point was determined as the lowest value under these circumstances as: 199.97 °C (473.12 K).These values are the results of three independent determinations.

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
199.97 °C

Additional information

A fully reliable experimental study, conducted according to OECD 103/ EU A2 guideline is available.

It is considered as a key study, and the result is retained as key data.

One event could be detected in all runs. In the first and third measurement the event was endotherm and in the second exothermic. The boiling point was determined under these circumstances in a range of: 199.97 (473.12 K) to 202.87 (476.02 K). The initial boiling point was determined as the lowest value under these circumstances as: 199.97 °C (473.12 K).These values are the results of three independent determinations.

The test item showed signs of changes in its composition when increasing the temperature indicated by colour change in the Pre-test for security, baseline reduction, and exothermic behaviour in one DSC measurement.