3,4,5-trifluorophenol

Boiling point

Link to relevant study record(s)

Reference

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2000-06-14 to 21

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.:

188 °C

Atm. press.:

1 013.25 hPa

Decomposition:

no

Differential scanning calorimetry

The diagrams showed an unexpected rapid return from the peak to the baseline. This behaviour was not yet observed during measurements for other substances or during the calibration procedure of this method. This unexpected behaviour may be caused by the loss of substance in the pan before reaching the boiling point. Due to the fact, that this behaviour was also observed for higher mass inputs in the pan, it must be a specific property of the test substance. Therefore, it has to be concluded, that the real boiling point is higher than the one determined by the DSC. The real boiling point, therefore was determined by a calculation / extrapolation from the vapour pressure measurement.

 

Boiling temperatures

Onset / °C	Temperature range / °C	Pan
172.7	145-185	aluminium with a hole
173.1	140-185	aluminium with a hole
172.6	130-185	aluminium with a hole

 

Dynamic method 

The vapour pressure was measured in the temperature range of 77.5 °C to 185 °C.

 

Temperature [°C]	vapour pressure [hPa]
94.5	60.8
108.6	100.6
128.0	181.2
143.1	299.5
164.1	541.4
184.9	960.2
175.1	747.0
154.0	411.3
136.0	238.6
119.3	140.9
100.1	80.0
77.5	25.1

 

The values for 25 and 50 °C and for 1013 hPa are calculated, using the Antoine constants A, B and C as shown. The boiling point of the test item was determined to be 188 °C (calculated from the vapour pressure measurement)

Conclusions:

The boiling point was determined to be 188 °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 to determine the boiling point of the test item using differential scanning calorimetry and the dynamic method. The test item was weighed out into an aluminium crucible under an inert atmosphere (nitrogen). Three tests were performed. As reference crucible, an empty aluminium crucible was used. It was concluded that the DSC measurements cannot be used for the determination of the boiling point. Therefore, the boiling point was determined by a calculation / extrapolation from the vapour pressure measurement. The vapour pressure was measured in the temperature range of 77.5 °C to 185 °C. The boiling point was calculated, using the Antoine constants A, B and C as shown. The mean boiling point was determined to be 188 °C based on the calculation from the vapour pressure measurement.

Description of key information

The boiling point was determined to be 188 °C at 1013.25 hPa (reference 4.3 -1).

Key value for chemical safety assessment

Boiling point at 101 325 Pa:

188 °C

Additional information

A study was conducted according to OECD test guideline 103, Regulation (EC) No 440/2008 method A.2 to determine the boiling point of the test item using differential scanning calorimetry and the dynamic method (reference 4.3 -1). The test item was weighed out into an aluminium crucible under an inert atmosphere (nitrogen). Three tests were performed. As reference crucible, an empty aluminium crucible was used. It was concluded that the DSC measurements cannot be used for the determination of the boiling point. Therefore, the boiling point was determined by a calculation / extrapolation from the vapour pressure measurement. The vapour pressure was measured in the temperature range of 77.5 °C to 185 °C. The boiling point was calculated, using the Antoine constants A, B and C as shown. The mean boiling point was determined to be 188 °C based on the calculation from the vapour pressure measurement.