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Physical & Chemical properties

Boiling point

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Endpoint:
boiling point
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2015-05-13 to 2015-12-18
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 supervision of a quality assurance unit which had ensured e.g instrumentation validation, reagent/materials certification, analyst certification and providing standard operating procedures.
Type of method:
differential scanning calorimetry
Key result
Boiling pt.:
>= 263 - <= 286 °C
Atm. press.:
1 013.25 hPa
Decomposition:
no

During the heating phase a distinct endothermic effect was observed in the temperature range of 190 to 310 °C, which was associated with 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 or Benzonitrile). A correction value φ = 5.1 was used for the temperature of 260 – 280 °C. The lowest measured onset temperature is corrected to the standard pressure to be 263.29 °C and the highest onset temperature to be 285.91 °C. The corrected onset temperatures in both tests deviate by more than 0.5 K from their mean value of 274.60 °C. Thus a boiling range of 263 - 286 °C of the test item was determined. No further thermal effects were observed up to the maximum test temperature of 500 °C.

Conclusions:
The boiling range of the test item was determined to be 263 – 286 °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 OCSPP 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 7 – 13 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. 190 – 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 range of the test item of 263 – 286 °C corrected to normal atmospheric pressure was determined. No further thermal effects were observed up to the maximum test temperature of 500 °C.

Endpoint:
boiling point
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2015-05-13 to 2015-05-19
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 supervision of a quality assurance unit which had ensured e.g instrumentation validation, reagent/materials certification, analyst certification and providing standard operating procedures.
Type of method:
differential scanning calorimetry
Key result
Boiling pt.:
>= 280 - <= 286 °C
Atm. press.:
1 013.25 hPa
Decomposition:
no

During the heating phase a distinct endothermic effect was observed in the temperature range of 190 to 310 °C, which was associated with 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 or Benzonitrile). A correction value φ = 5.1 was used for the temperature of 280 – 290 °C. The lowest measured onset temperature is corrected to the standard pressure to be 280.88 °C and the highest onset temperature to be 285.80 °C. The corrected onset temperatures in both tests deviate by more than 0.5 K from their mean value of 283.34 °C. Thus a boiling range of 280 – 286 °C of the test item was determined. No further thermal effects were observed up to the maximum test temperature of 500 °C.

Conclusions:
The boiling range of the test item was determined to be 280 – 286 °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 OCSPP 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 9 – 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. 190 – 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 range of the test item of 280 – 286 °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 range of the test item was determined to be 263 - 286 °C at 1013.25 hPa for composition A and 280 – 286 °C at 1013.25 hPa for composition B.

Key value for chemical safety assessment

Additional information

Isomeric Composition A

A study was conducted according to OECD TG 103, to determine the boiling point of the test item using differential scanning calorimetry. Between approx. 190 – 310 °C an endothermic effect (boiling) was detected. A boiling range of the test item of 263 - 286 °C corrected to normal atmospheric pressure was determined. No further thermal effects were observed up to the maximum test temperature of 500 °C.

 

Isomeric Composition B

A study was conducted according to OECD TG 103, to determine the boiling point of the test item using differential scanning calorimetry. Between approx. 190 – 310 °C an endothermic effect (boiling) was detected. A boiling range of the test item of 280 – 286 °C corrected to normal atmospheric pressure was determined. No further thermal effects were observed up to the maximum test temperature of 500 °C.