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Physical & Chemical properties

Boiling point

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Endpoint:
boiling point
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Study period:
2018
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Qualifier:
equivalent or similar to guideline
Guideline:
other: REACH guidance on QSAR R.6 may/july 2008
GLP compliance:
no
Type of method:
other: QSAR
Key result
Boiling pt.:
ca. 615.23 °C
Atm. press.:
ca. 101.325 kPa
Endpoint:
boiling point
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Study period:
2018
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Qualifier:
equivalent or similar to guideline
Guideline:
other: REACH guidance on QSAR R.6 may/july 2008
GLP compliance:
no
Type of method:
other: QSAR
Boiling pt.:
ca. 592.02 °C
Atm. press.:
ca. 101.325 kPa
Endpoint:
boiling point
Type of information:
experimental study
Adequacy of study:
key study
Study period:
30 Oct - 01 Nov 2019
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Reason / purpose for cross-reference:
reference to same study
Qualifier:
according to guideline
Guideline:
OECD Guideline 103 (Boiling Point)
Qualifier:
according to guideline
Guideline:
EU Method A.2 (Boiling Temperature)
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7220 (Boiling Point / Boiling Range)
Qualifier:
according to guideline
Guideline:
other: OECD Guideline 113 (Thermal Stability)
GLP compliance:
no
Type of method:
differential scanning calorimetry
Decomposition:
yes
Decomp. temp.:
>= 140 - <= 150 °C

DSC-measurement: Boiling point

One endothermic effect was detected in the temperature range of 40-60 °C. Two exothermic effects were observed in the temperature range of 150-220 °C and in the temperature range of 330-400 °C.

 

Sample weight / mg

Range of effect / °C

Weight loss / mg

9.44

40-60 (endo)
150-220 (exo)
330-400 (exo)

4.57

 

DSC-measurement: Thermal stability

One endothermic effect was detected in the temperature range of 40-60 °C. Two exothermic effects were observed in the temperature range of 140-240 °C and in the temperature range of 300-470 °C. A third exothermic effect was detected in the temperature range of 470-500 °C.

After the measurement the test item’s appearance was black.

 

Sample weight / mg

Range of effect / °C

Weight loss / mg

4.44

40-60 (endo)
140-240 (exo)

300-470 (exo)

470-500 (exo)

--

 

As the endothermic effect is observed in the perforated and closed crucible it can be assigned to the melting of the test item. No other endothermic effect is detected until the end of the measurement. Instead, the exothermic effects can be assigned to decomposition processes.

 

Final Results

The test item has no boiling point up to its decomposition at 140-150 °C as determined by differential scanning calorimetry according to Regulation EC No. 440/2008 Method A.2. and OECD Test Guideline 103 (1995) and OECD Guideline 113 (1981).

Conclusions:
The test item has no boiling point up to its decomposition at 140-150 °C.

Description of key information

The substance decomposes before boiling at 140 -150 °C (OECD Guideline 103, differential scanning calorimetry)

Key value for chemical safety assessment

Additional information

The boiling point values estimated for two representative constituents of the substance by means of a (Q)SAR model (EPI Suite / MPBPWIN) are used as supporting information:

sodium 2-(stearoyloxy)propanoate: 615.23 °C at ca. 101.325 kPa

sodium 2-(hexadecanoyloxy)propanoate: 592.02 °C at ca. 101.325 kPa