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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:
27 March 2017 - 09 January 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
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 103 (Boiling Point)
Version / remarks:
July 1995
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
differential scanning calorimetry
Key result
Boiling pt.:
>= 97 - <= 108 °C
Atm. press.:
1 013 hPa
Decomposition:
no

No.

Sample weight / mg

Onset of Effect / °C

Range of effect / °C

Weight loss / mg

Atmospheric pressure / hPa

PN13287

13.03

-26.37

-30 – 0 (endo)

9.77

999.0

96.70

30 – 160 (endo)

182.38

180 – 260 (endo)

274.66

260 – 280 (endo)

---

280 – 410 (exo)

PN13300

17.72

-22.33

-30 – 0 (endo)

13.20

1002.8

107.74

70 – 150 (endo)

241.92

200 – 260 (endo)

274.01

260 – 280 (endo)

---

280 – 320 (exo)

PN13476

18.37

-30.93

-40 – 0 (endo)

14.68

1001.3

105.43

70 – 150 (endo)

244.37

150 – 250 (endo)

258.94

250 – 280 (endo)

---

280 – 320 (exo)

 

During the cooling phase, no thermal effects were observed, which can be assigned to the freezing of the test item.

During the heating phase a very small endothermic effect was observed in the temperature range of -40 to 0 °C.

These endothermic effects were investigated. 6.6 g of the test item was cooled in a test tube using liquid nitrogen to approx. -60 °C. At approx. -30 °C the test item changed consistency and colour, from a very viscous transparent liquid to a white mass (without achieving a solid state). When warmed from -60 °C to ambient temperature, the appearance of the test item returned to being a viscous and transparent liquid at approx. -20 °C. From these observations, it can be concluded these endothermic effects are not associated with melting or freezing as a phase transition did not occur.

For the correction of the boiling temperature to standard pressure the test item was assigned to chemical group 2 (e.g. Hydrocarbons). According to appendix 8.2 a correction value φ = 4.75 was used for the temperature of 100 – 110 °C.

The lowest measured onset temperature is corrected to the standard pressure to be 97.18 °C, the mid onset temperature to be 105.84 °C and the highest onset temperature to be 108.10 °C. As the corrected onset temperatures in all three tests deviate by more than 0.5 K from their mean value of 103.71 °C, the test item has a boiling range of 97 – 108 °C.

Conclusions:
The boiling point range of the test item was determined to be 97 - 108 ℃.
Executive summary:

EU Method A.2. – The boiling point of the test item was determined using differential scanning calorimetry.  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.

Aliquots of test item (0.0013 - 0.0018 g) were placed in crucibles and subjected to a thermal program from -100 °C to 500 °C.  Cooling at a constant rate of 0.25 K/min was followed by a waiting period of 30 minutes at -100 °C and heating at a constant rate of 10 K/min to 500 °C.  Three determinations were carried out.  All determinations were conducted under an inert atmosphere.  

A boiling point range of 97 – 108 °C was determined for the test item.

Description of key information

Boiling Point: 97 °C - 108 °C ± 0.5 °C (370.15 K - 381.15 K ± 0.5 K); EU Method A.2.; H Smeykal (2017)

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
97 °C

Additional information

EU Method A.2. – The boiling point of the test item was determined using differential scanning calorimetry.  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.

Aliquots of test item (0.0013 - 0.0018 g) were placed in crucibles and subjected to a thermal program from -100 °C to 500 °C.  Cooling at a constant rate of 0.25 K/min was followed by a waiting period of 30 minutes at -100 °C and heating at a constant rate of 10 K/min to 500 °C.  Three determinations were carried out.  All determinations were conducted under an inert atmosphere.  

A boiling point range of 97 – 108 °C was determined for the test item.