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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:

11-07-2019 to 18-12-2019

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

Type of method:

differential scanning calorimetry

Boiling pt.:

336.1 °C

Atm. press.:

1 011 hPa

Decomposition:

no

Remarks on result:

other: mean boiling point (n = 2); measurement under flow of nitrogen ; atmospheric pressure was 1011 ± 2 hPa.

Main study

- Experiment 1: During cooling, an exothermic effect between -90°C and -85°C was observed. The effect was obtained due to crystallization of the test item. During heating an exothermic effect directly followed by an endothermic effect was observed between -90°C and -75°C followed by an endothermic effect between 250°C and 375°C. The peak maximum of the first effect was -80.88°C. The extrapolated onset temperature of the second effect was 328.76°C. The first endothermic effect was obtained due to melting of the test item. The second endothermic effect was considered likely to have been obtained due to boiling of the test item. After the experiment it was observed that the test item had evaporated from the sample container. The extrapolated onset temperature of the second effect was not used for calculations since the test item had evaporated before boiling temperature was reached.

- Experiment 2: Was conducted to examine the extrapolated onset of the melting temperature peak.Additionally, a higher heating rate was used to investigate the boiling peak.An extrapolated onset temperature could not be determined for the melting peak. The peak maximum of the melting peak was -80.39°C. The extrapolated onset temperature of the endothermic effect was 345.67°C and since it had shifted to a higher temperature it was concluded that it is due to the boiling of the test item, within this experiment. At the end, it was observed that the test item had evaporated from the sample container.

- Experiment 3: Was conducted to further examine the melting and boiling temperature of the test item. The peak maximum of the melting peak was -80.32°C. The extrapolated onset of the boiling effect was 335.70°C. The boiling peak temperature increased as compared to the peak obtained under the same heating rate in Experiment 1. At the end, it was observed that the test item had evaporated from the sample container.

- Experiment 4: Was conducted to further examine the boiling temperature of the test item. An endothermic peak was observed. The extrapolated onset of the peak was 336.57°C. At the end, it was observed that the test item had evaporated from the sample container.

 

The melting temperature was determined as the mean melting temperature of Experiment 2 (-80.39°C) and Experiment 3 (-80.32°C). Mean (n=2) : -80.4°C.

The boiling temperature was determined as the mean boiling temperature of Experiment 3 (335.70°C) and Experiment 4 (336.57°C). Mean (n=2) : 336.1°C.

Conclusions:

The boiling temperature of the test item has been determined to be 336.1 °C (or 609.3 K).

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). The boiling temperature of the test item were determined as the mean boiling temperature obtained from two experiments. The mean boiling point was 336.1°C (or 609.3K).

Description of key information

Bp: 336.1 °C (or 609.3K) at ca. 1 atmosphere pressure, OECD TG 103 : DSC method, 2019

Key value for chemical safety assessment

Boiling point at 101 325 Pa:

336.1 °C

Additional information

Key Study : OECD TG 103, 2019 : 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). The boiling temperature of the test item were determined as the mean boiling temperature obtained from two experiments. The mean boiling point was 336.1°C (or 609.3K).