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Physical & Chemical properties

Boiling point

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Reference
Endpoint:
boiling point
Type of information:
experimental study
Adequacy of study:
key study
Study period:
19 July 2017 - 01 June 2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Remarks:
Study was conducted in accordance with international guidelines and in accordance with GLP. All guideline validity criteria were met.
Qualifier:
according to guideline
Guideline:
EU Method A.2 (Boiling Temperature)
Version / remarks:
Regulation (EC) 440/2008 of 30 May 2008
Qualifier:
according to guideline
Guideline:
OECD Guideline 103 (Boiling Point)
Version / remarks:
27 July 1995
GLP compliance:
yes (incl. QA statement)
Type of method:
differential scanning calorimetry
Key result
Atm. press.:
>= 100.7 - <= 101.4 kPa
Decomposition:
yes
Remarks:
As a result of the low rate of enthalpy change during decomposition, the onset temperature could only be approximated.
Decomp. temp.:
>= 160 °C

Evaluation of Data:

The standard boiling point is defined as the point at which the vapor pressure of a liquid is the same as the standard pressure (101.325 kPa). During thermal analysis, the peak width of an endothermic reaction also depends on sample amount and heating rate. Therefore, the onset point of the relevant endothermic peak is usually stated as the boiling point. The boiling point is stated with regard to the ambient pressure during measurement. Measured temperatures were converted from °C to K using Equation 1.

 

Equation 1:                                                                             

T = t + 273.15

where:

T = Thermodynamic temperature, Kelvin (K)

t = Celsius temperature, degrees Celsius (°C)

 

 

Results:

Table 2:          Thermographic Data

Determination

Atmospheric pressure (kPa)

Mass Loss (%)

Residue

Comments

1

100.7

72

Brown stain around periphery

Gradual decomposition.

No boiling endotherm

2

100.7

68

Brown stain around periphery

Gradual decomposition.

No boiling endotherm

3

100.7

68

Brown stain around periphery

Gradual decomposition.

No boiling endotherm

4

101.4

83

Brown stain around periphery

Gradual decomposition.

No boiling endotherm

5

101.4

94

Brown stain around periphery

Gradual decomposition.

No boiling endotherm

6

100.7 

2

Off-white solid around periphery

Melting transition at 67.8 °C.

No decomposition up to 160 °C

The residue in the crucibles from determinations 1 to 5 was observed to be brown staining around the periphery. After heating to 450 °C, the crucibles from determinations 1 to 5 had lost significant amount of their original mass. No boiling endotherm was observed, thus the test item was considered to have decomposed with loss of volatile constituents. Determination 6 demonstrated that the test item did not decompose before 160 °C.

 

As a result of the low rate of enthalpy change during decomposition, the onset temperature could only be approximated.

 

 

Conclusion:

The test item was determined to decompose above 160 °C (433 K) at 100.7 to 101.4 kPa. As the test item decomposed, no value of boiling point could be determined. 

Conclusions:
The test item was determined to decompose above 160 °C (433 K) at 100.7 to 101.4 kPa. As the test item decomposed, no value of boiling point could be determined.
Executive summary:

EU Method A.2. – The boiling point of the test item was sought using the Differential Scanning Calorimeter (DSC) method.  The procedure employed was designed to be compatible with Method A.2. Boiling Temperature of Commission Regulation (EC) No 440/2008 of 30 May 2008.

Six determinations were carried out.  Aliquots of test item (0.0047 – 0.0057 g) were placed in an aluminium crucible with lid under initially a non-inert (air) and subsequently an inert (nitrogen) atmosphere and subjected to a thermal programme of 20 °C/min between 25 to 450 °C or 20 °C/min between 25 to 160 °C.  During heating the test item and the temperature were monitored by the appliance so that the approximate boiling point could be determined.

During the study, no boiling endotherm was observed on any measurement, thus the test item was considered to have decomposed with loss of volatile constituents.  It was determined that the test item did not decompose before 160 °C (at 100.7 to 101.4 kPa).  As the test item decomposed prior to boiling, no value for boiling could be determined.

Description of key information

Boiling Point: Decomposition > 160 °C (433.15 K); EU Method A.2.; R. Butler (2018)

Key value for chemical safety assessment

Additional information

EU Method A.2. – The boiling point of the test item was sought using the Differential Scanning Calorimeter (DSC) method.  The procedure employed was designed to be compatible with Method A.2. Boiling Temperature of Commission Regulation (EC) No 440/2008 of 30 May 2008.

Six determinations were carried out.  Aliquots of test item (0.0047 – 0.0057 g) were placed in an aluminium crucible with lid under initially a non-inert (air) and subsequently an inert (nitrogen) atmosphere and subjected to a thermal programme of 20 °C/min between 25 to 450 °C or 20 °C/min between 25 to 160 °C.  During heating the test item and the temperature were monitored by the appliance so that the approximate boiling point could be determined.

During the study, no boiling endotherm was observed on any measurement, thus the test item was considered to have decomposed with loss of volatile constituents.  It was determined that the test item did not decompose before 160 °C (at 100.7 to 101.4 kPa).  As the test item decomposed prior to boiling, no value for boiling could be determined.