Benzene-1,3,5-tricarbonyl trichloride

Boiling point

Link to relevant study record(s)

Reference

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

15-03-2022 to 28-04-2022

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

Guideline study performed under GLP. All relevant validity criteria were met.

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling Point)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.2 (Boiling Temperature)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7220 (Boiling Point / Boiling Range)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Remarks:

inspected: February 2022 ; signed: April 2022

Type of method:

differential scanning calorimetry

Key result

Boiling pt.:

>= 319.5 - 325.7 °C

Atm. press.:

999 hPa

Decomposition:

no

Remarks on result:

other: boiling point range (n=3); measurement under flow of nitrogen ; atmospheric pressure was 999 ± 18 hPa.

Main study
Eight experiments were conducted in total. Experiment 1, 2 and 7 were used for MP evaluation and stared at -25 Initial temperature: -25°C.
Experiment 2, 4 and 8 were used for BP determination.
Experiment 3, 5 and 7 were not used (e.g. poor peak shape/peak broadening of endotherms – see comments below).

Melting point
The melting temperature was determined as the mean melting temperature of Experiment 1 (36.929°C), Experiment 2 (37.122°C) and Experiment 7 (36.601°C).

Boiling point
Within Experiment 3, 5 and 7 the offsets obtained for the broader endothermic peaks were not taken into account as these are considered less reliable. It is considered the causes of the broader endotherm experiments could be an artefact of the use of gold sample containers and/or their manual perforation as a consequence of the potential corrosivity of the test item. The boiling effects with reliable endothermic peak shapes showed a spread over the obtained results, a range of the boiling temperature was determined based upon: Experiment 2 (325.740°C), Experiment 4 (319.531°C) and Experiment 8 (319.871°C). Within experiments there was no evidence of decomposition noted. In all experiments, pon completion of the experiment it was observed that the test item had evaporated from the (gold) sample container.

The melting temperature of the test item was 36.9°C.
The boiling temperature (range) of the test item was 319.5°C – 325.7°C

Conclusions:

The boiling temperature of the test item has been determined to be 319.5°C to 325.7°C (or 592.65 K to 598.85 K) at 999 ± 18 hPa atmospheric pressure.

Executive summary:

The boiling temperature was examined using OECD TG 103 and EU Method A.2. with the Differential Scanning Calorimetry method under GLP. The guideline defines the standard boiling temperature as the temperature at which the vapour pressure of a liquid is the same as the standard pressure (i.e. 1013.25 hPa). Eight experiments were conducted. The experiments were performed under a flow of nitrogen at atmospheric pressure (999 ± 18 hPa) using a gold crucible sample container, that was closed with a lid in which a small hole was drilled/manually punched. Experiment 3, 5 and 7 were not used. The offsets obtained for the broader endothermic peaks were not taken into account as these are considered less reliable. It is considered the causes of the broader endotherm experiments could be an artefact of the use of gold sample containers and/or their manual perforation as a consequence of the potential corrosivity of the test item. Since the boiling effects with reliable endothermic peak shapes showed a spread over the obtained results, a range of the boiling temperature was determined based upon: Experiment 2 (325.740°C), Experiment 4 (319.531°C) and Experiment 8 (319.871°C). The boiling temperature range of the test item was 319.5°C – 325.7°C at 999 ± 18 hPa atmospheric pressure.

Description of key information

Bp range: 319.5°C – 325.7°C at 999 ± 18 hPa atmospheric pressure, OECD TG 103 : DSC method, 2022

Key value for chemical safety assessment

Boiling point at 101 325 Pa:

319.5 °C

Additional information

Key Study : OECD TG 103, 2022 : The boiling temperature was examined using OECD TG 103 and EU Method A.2. with the Differential Scanning Calorimetry method under GLP. The guideline defines the standard boiling temperature as the temperature at which the vapour pressure of a liquid is the same as the standard pressure (i.e. 1013.25 hPa). Eight experiments were conducted. The experiments were performed under a flow of nitrogen at atmospheric pressure (999 ± 18 hPa) using a gold crucible sample container, that was closed with a lid in which a small hole was drilled/manually punched. Experiment 3, 5 and 7 were not used. The offsets obtained for the broader endothermic peaks were not taken into account as these are considered less reliable. It is considered the causes of the broader endotherm experiments could be an artefact of the use of gold sample containers and/or their manual perforation as a consequence of the potential corrosivity of the test item. Since the boiling effects with reliable endothermic peak shapes showed a spread over the obtained results, a range of the boiling temperature was determined based upon: Experiment 2 (325.740°C), Experiment 4 (319.531°C) and Experiment 8 (319.871°C). The boiling temperature range of the test item was 319.5°C – 325.7°C at 999 ± 18 hPa atmospheric pressure.