trans-2-(4-Bromo-3-fluorophenyl)-5-butyl-[1,3]dioxane

Boiling point

Link to relevant study record(s)

Reference

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

from 2018-10-24 to 2019-01-28

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

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

GLP compliance:

no

Type of method:

differential scanning calorimetry

Key result

Boiling pt.:

342.9 °C

Atm. press.:

1 013.3 hPa

Decomposition:

no

Two DSC measurements in aluminium crucibles with a hole showed an endothermal effect after the melting in the temperature range of 340 - 370 °C. No further endothermic or exothermic effects were observed up to the final temperature (500 °C). The mass loss after the DSC measurements amounted to 100 %.

Table 1: Boiling point (DSC measurements)

Ident No.	Test item / mg	Starting temperature / °C	Final temperature / °C	Temperature range (endothermal) / °C	Onset (melting) / °C	Crucible	Observations after measurement
38297	14.38	25	500	340 – 370	343.29	Aluminium with a hole	Crucible was empty, mass loss 100 %
38299	19.39	25	500	340 – 370	342.43	Aluminium with a hole	Crucible was empty, mass loss 100 %

 

The boiling point was corrected to the standard atmospheric pressure (1013.3 hPa) according to H.B. Hass and R.F. newton in “CRC Handbook of Chemistry and Physics, 74th ed. 1993-1994”. The test item was classified in group 2 (hydrocarbons) for the estimation of the respectful parameters.

 

Δt = (273.15 + t) * (3.0057 – logp) / Φ + 0.15 * (3.0057 – logp)

t – temperature in °C

p – pressure in hPa

Table 2. Correction of the boiling point to standard atmospheric pressure

Ident No.	Onset / °C	Ambient pressure / hPa	Φ (Group 2)	Δt / °C	Boiling point at 1013.3 hPa / °C
38297	343.29	1013.7	5.249	-0.03	343.27
38299	342.43	1013.1	5.247	0.01	342.44

 

The test item had a mean boiling point at atmospheric pressure (1013.3 hPa) of 342.9 °C.

Conclusions:

The test item has a mean boiling point at atmospheric pressure (1013.3 hPa) of 342.9 °C.

Executive summary:

A study was conducted according to OECD TG 103 and Regulation (EC) No 440/2008 method A.2 to determine the boiling point of the test item using differential scanning calorimetry. The test item was weighed out into an aluminium crucible under an inert atmosphere (nitrogen). Two tests with about 14 – 19 mg of the test item were performed. As reference crucible, an empty aluminium crucible was used. Two DSC measurements in aluminium crucibles with a hole showed an endothermal effect after the melting in the temperature range of 340 - 370 °C. No further endothermic or exothermic effects were observed up to the final temperature (500 °C). The mass loss after the DSC measurements amounted to 100 %. The correction of the boiling temperature to standard pressure was performed according to H.N. Hass and R.F. Newton. The test item boiling point was determined to be 342.9 °C at 1013.3 hPa.

Description of key information

The test item has a mean boiling point at atmospheric pressure (1013.3 hPa) of 342.9 °C.

Key value for chemical safety assessment

Boiling point at 101 325 Pa:

342.9 °C

Additional information

A study was conducted according to OECD TG 103 and Regulation (EC) No 440/2008 method A.2 to determine the boiling point of the test item using differential scanning calorimetry (reference 4.3-1). The test item was weighed out into an aluminium crucible under an inert atmosphere (nitrogen). Two tests with about 14 – 19 mg of the test item were performed. As reference crucible, an empty aluminium crucible was used. Two DSC measurements in aluminium crucibles with a hole showed an endothermal effect after the melting in the temperature range of 340 - 370 °C. No further endothermic or exothermic effects were observed up to the final temperature (500 °C). The mass loss after the DSC measurements amounted to 100 %. The correction of the boiling temperature to standard pressure was performed according to H.N. Hass and R.F. Newton. The test item boiling point was determined to be 342.9 °C at 1013.3 hPa.