Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Physical & Chemical properties

Boiling point

Currently viewing:

Administrative data

Link to relevant study record(s)

Referenceopen allclose all

Endpoint:
boiling point
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Remarks:
In a differential scanning calorimetry, performed according to EU Method A.2, no boiling point could be determined up to a temperature of 500 °C at normal conditions. A boiling point can be estimated using the vapour pressure curve obtained in a study performed according to EU method A.4.
Reason / purpose for cross-reference:
reference to same study
Qualifier:
according to guideline
Guideline:
other: EU Method A.4 (Vapour Pressure)
Version / remarks:
2008
Deviations:
no
Qualifier:
according to guideline
Guideline:
other: OECD Guideline 104 (Vapour Pressure Curve)
Version / remarks:
2006
Deviations:
no
Qualifier:
according to guideline
Guideline:
other: OECD Test Guideline 113 - Screening Test for Thermal Stability and Stability in Air
Version / remarks:
1981
Deviations:
no
Principles of method if other than guideline:
According to ECHA Guidance on Information Requirements and Chemical Safety Assessment - Chapter R.7a: Endpoint specific guidance (version 6.0, July 2017) - section R.7.1.3.2: "The normal boiling point is the temperature at which the vapour pressure of a liquid equals 101.3 kPa.".

The boiling point at 101.3 kPa has been estimated by means of the Anoine equation, as derived by the vapour pressure curve determined in a study performed according to EU Method A.4.
GLP compliance:
no
Type of method:
other: Extrapolation from the vapour pressure curve (Antoine equation)
Boiling pt.:
318.24 °C
Atm. press.:
1 013 hPa
Remarks on result:
other: calculated from the vapour pressure curve by means of the Antoine equation

Results of the thermal stability study


The test item showed an exothermic effect in the temperature range of 150 - 230 °C, with a decomposition energy of - 30 J/g.


 


Results of the vapour pressure study


































































No.



Temperature / °C



Vapour pressure / hPa



Remark



1



100.8



13.6



measured up



2



113.8



19.8



measured up



3



135.8



34.9



measured up



4



143.2



40.8



measured up



5



150.8



54.4



measured up



6



158.8



69.0



measured up



7



146.8



48.8



measured down



8



124.3



27.2



measured down



9



116.3



21.5



measured down



 


From the measured data points of the vapour pressure curve the constants A, B and C of the Antoine equation have be derived by regression:


 


A = 8.2394


B = -1912.43


C = 273.15


 


 


Calculation of the normal boiling point


The Antoine equation was used to calculate the temperature at which the vapour pressure equals 101.3 kPa, defined as the normal boiling point.


 


θ = (B / (log10p - A)) - C = (-1912.43 / (log10 101300 - 8.2394)) - 273.15 = 318.24


 


A, B, C = Antoine constants


p = vapour pressure in Pa


θ = temperature in °C


 


Final results


A boiling temperature of ca. 318 °C at 1013 hPa can be estimated for the test item by means of the Antoine equation derived from the vapour pressure curve.

Conclusions:
The boiling point of the test item was determined by means of the Antoine equation derived from the vapour pressure curve to be ca. 318 °C.
Executive summary:

The boiling point at 101.3 kPa has been estimated by means of the Anoine equation, as derived by the vapour pressure curve determined in a study performed according to EU Method A.4. and OECD Guideline 104. The boiling point of the test item was calculated to be ca. 318 °C.

Endpoint:
boiling point
Type of information:
experimental study
Adequacy of study:
key study
Study period:
13 Jul 2015
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
EU Method A.2 (Boiling Temperature)
Version / remarks:
2008
Qualifier:
according to guideline
Guideline:
OECD Guideline 103 (Boiling point/boiling range)
Version / remarks:
1995
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7220 (Boiling Point / Boiling Range)
Version / remarks:
1996
GLP compliance:
no
Type of method:
differential scanning calorimetry
Key result
Decomposition:
yes
Decomp. temp.:
>= 170 °C
Remarks on result:
other: The test item has no boiling point up to 500 °C at atmospheric pressure (1005 hPa)

Results


In the thermograms of the two DSC runs at a temperature of approximately 170 °C the test item starts to decompose. No boiling could be observed.


 


The verification of the results in the DSC with the capillary method showed also no boiling of the test item. At the starting temperature of 100 °C the test item was a clear transparent slightly yellow liquid. At a temperature of 245 °C a part of the test item ascended in the capillary. From 310 °C on, the test item showed a change of the colour to light brown. Up to 350 °C no boiling of the test item could be observed.


 


Final Results


The test item has no boiling point up to 500 °C at atmospheric pressure (1005 hPa) as determined by differential scanning calorimetry according to Regulation EC No. 440/2008 Method A.2. and OECD Test Guideline 103 (1995). The test item decomposes at approximately 170 °C.

Conclusions:
The test item decomposes before boiling at a temperature of approximately 170 °C.
Executive summary:

An experimental study was conducted to determine the boiling point of the test item according to Regulation EC No. 440/2008 Method A.2. and OECD Test Guideline 103 (1995) using differential scanning calorimetry. In the thermograms of the two DSC runs at a temperature of approximately 170 °C the test item starts to decompose. No boiling could be observed. The verification of the results in the DSC with the capillary method showed also no boiling of the test item. The test item showed a change of the colour from slight yellow to light brown. Thus, the test item decomposes before boiling approximately 170 °C.

Description of key information

The test item decomposes before boiling at a temperature of approximately 170 °C.

Key value for chemical safety assessment

Additional information

An experimental study was conducted to determine the boiling point of the test item according to Regulation EC No. 440/2008 Method A.2. and OECD Test Guideline 103 (1995) using differential scanning calorimetry. In the thermograms of the two DSC runs at a temperature of approximately 170 °C the test item starts to decompose. No boiling could be observed. The verification of the results in the DSC with the capillary method showed also no boiling of the test item. The test item showed a change of the colour from slight yellow to light brown. Thus, the test item decomposes before boiling approximately 170 °C.


Additionally, the boiling point at 101.3 kPa has been estimated by means of the Anoine equation, as derived by the vapour pressure curve determined in a study performed according to EU Method A.4. and OECD Guideline 104. The boiling point of the test item was calculated to be ca. 318 °C.