Benzene-1,3,5-tricarbonyl trichloride

Melting point / freezing point

Link to relevant study record(s)

Reference

Endpoint:

melting point/freezing 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 102 (Melting point / Melting Range)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.1 (Melting / Freezing Temperature)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7200 (Melting Point / Melting Range)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Remarks:

inspected: February 2022 ; signed: April 2022

Type of method:

differential scanning calorimetry

Key result

Melting / freezing pt.:

ca. 36.9 °C

Atm. press.:

ca. 999 hPa

Decomposition:

no

Sublimation:

no

Remarks on result:

other: mean melting point (n = 3)

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 melting temperature of the test item has been determined to be 36.9°C (or 310.05 K). At above this temperature the substance is considered to be liquid.

Executive summary:

The melting temperature was determined using OECD TG 102 and EU Method A.1 with the Differential Scanning Calorimetry method under GLP. The guideline defines the melting temperature as: the temperature at which the phase transition from solid to liquid state occurs at atmospheric pressure and this temperature ideally corresponds to the freezing temperature. Eight experiments were conducted. Three experiments for melting point determination specifically. 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 due to potential corrosivity of the test item. 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). It was concluded that the melting temperature of the test item has been determined to be 36.9°C (or 310.5.5 K). At above this temperature the substance is considered to be liquid.

Description of key information

Mp: 36.9°C (or 310.05 K) at 1 atmosphere, OECD TG 102 : DSC Method, 2022

Key value for chemical safety assessment

Melting / freezing point at 101 325 Pa:

36.9 °C

Additional information

Key Study : OECD TG 102, 2022 : The melting temperature was determined using OECD TG 102 and EU Method A.1 with the Differential Scanning Calorimetry method under GLP. The guideline defines the melting temperature as: the temperature at which the phase transition from solid to liquid state occurs at atmospheric pressure and this temperature ideally corresponds to the freezing temperature. Eight experiments were conducted. Three experiments for melting point determination specifically. 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 due to potential corrosivity of the test item. 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). It was concluded that the melting temperature of the test item has been determined to be 36.9°C (or 310.5.5 K). At above this temperature the substance is considered to be liquid.