reaction mass of diethyl (E)-2-methylbut-2-enedioate and diethyl (Z)-2-methylbut-2-enedioate

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 2017-04-07 to 2017-06-06

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

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7220 (Boiling Point / Boiling Range)

Deviations:

no

GLP compliance:

no

Remarks:

This study was not performed under the Principles of Good Laboratory Practice (GLP).

Type of method:

differential scanning calorimetry

Key result

Boiling pt.:

227.8 °C

Atm. press.:

1 013.25 hPa

In the temperature range of -40 to 10 °C an endothermic effect (melting), was observed. Between approx. 50 – 240 °C a second endothermic effect (boiling) could be detected.

The test item showed a second endothermic signal in the temperature range of approx. 50 – 240 °C that can be assigned to the boiling of the test item. For the correction of the boiling temperature to standard pressure the test item was assigned to chemical group 2 (e.g. Hydrocarbons). According to H.N Haas and R.F. Newton, a correction value φ = 5.0 was used for the temperature of 220 – 230 °C.

The lowest measured onset temperature is corrected to the standard pressure to be 227.74 °C and the highest onset temperature to be 227.83 °C. As the corrected onset temperatures in both tests deviate by less than 0.5 K from their mean value of 227.79 °C, the test item boiling point was set to be 227.8 °C. No further thermal effects were observed up to the maximum test temperature of 500 °C.

Conclusions:

The test item has a boiling point of 227.8 °C corrected to normal atmospheric pressure (1013 hPa) as determined by differential scanning calorimetry according to Regulation EC No. 440/2008 Method A.2. and OECD Test Guideline 103 (1995).

Executive summary:

A study was conducted according to OECD TG 103, Regulation (EC) No 440/2008 method A.2 and EPA OPPTS 830.7220 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 16 – 17 mg of the test item were performed. As reference crucible, an empty aluminium crucible was used. The substance is a liquid at ambient conditions. Therefore, the crucibles were cooled down from ambient temperature to -100 °C with a constant cooling rate of 0.25 K/min under an inert atmosphere. After a waiting period of 30 min at -100 °C, the temperature was increased up to 500 °C at a constant heating rate of 10 K/min. Between approx. 50 – 240 °C an endothermic effect (boiling) was detected. 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 227.8 °C.No further thermal effects were observed up to the maximum test temperature of 500 °C.

Key value for chemical safety assessment

Boiling point at 101 325 Pa:

227.8 °C

Additional information

A study was conducted according to OECD TG 103, Regulation (EC) No 440/2008 method A.2 and EPA OPPTS 830.7220 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 16 – 17 mg of the test item were performed. As reference crucible, an empty aluminium crucible was used. The substance is a liquid at ambient conditions. Therefore, the crucibles were cooled down from ambient temperature to -100 °C with a constant cooling rate of 0.25 K/min under an inert atmosphere. After a waiting period of 30 min at -100 °C, the temperature was increased up to 500 °C at a constant heating rate of 10 K/min. Between approx. 50 – 240 °C an endothermic effect (boiling) was detected. 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 227.8 °C. No further thermal effects were observed up to the maximum test temperature of 500 °C.