3-methyl-5-phenylpent-2-enenitrile

Boiling point

Link to relevant study record(s)

Reference

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2015-05-13

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling point/boiling range)

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:

The study was conducted under GLP equivalent conditions. The study was conducted under supervision of a quality assurance unit which had ensured e.g. instrumentation validation, reagent/materials certification, analyst certification and providing SOPs.

Type of method:

differential scanning calorimetry

Key result

Boiling pt.:

296.2 °C

Atm. press.:

1 013.25 hPa

Decomposition:

no

Results of the DSC-measurements

No.	Sample weight / mg	Onset of Effect / °C	Range of effect / °C	Weight loss / mg	Atmospheric pressure / hPa
1	10.04	296.13	150 – 310 (endo)	10.19	1005.2
2	13.04	295.57	150 – 310 (endo)	10.38	1005.2

 

The correction of the boiling temperature to standard pressure was performed according to H.N. Hass and R.F. Newton. The test item was assigned to chemical group 2 (e.g. Hydrocarbons or Benzonitrile). A correction value φ= 5.15 was used for the temperature of 290 – 300 °C. The lowest measured onset temperature is corrected to the standard pressure to be 295.95 °C and the highest onset temperature to be 296.51 °C. As the corrected onset temperatures in both tests deviate by less than 0.5 K from their mean value of 296.23 °C, a boiling point of 296.2 °C was stated. No further thermal effects were observed up to the maximum test temperature of 500 °C.

Conclusions:

The boiling point of the test item was determined to be 296.2 °C at 1013.25 hPa.

Executive summary:

A study was conducted according to OECD test guideline 103, Regulation (EC) No 440/2008 method A.2 and EPA OPPTS test guideline 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 10 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. 150 – 310 °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. A boiling point of the test item of 296.2 °C corrected to normal atmospheric pressure was determined. No further thermal effects were observed up to the maximum test temperature of 500 °C.

Description of key information

The boiling point of the test item was determined to be 296.2 °C at 1013.25 hPa.

Key value for chemical safety assessment

Boiling point at 101 325 Pa:

296.2 °C

Additional information

A study was conducted according to OECD test guideline 103 to determine the boiling point of the test item using differential scanning calorimetry. Two tests with about 10 mg of the test item were performed. Between approx. 150 – 310 °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. A boiling point of the test item of 296.2 °C corrected to normal atmospheric pressure was determined. No further thermal effects were observed up to the maximum test temperature of 500 °C.