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Diss Factsheets

Physical & Chemical properties

Melting point / freezing point

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Endpoint:
melting point/freezing point
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
EU Method A.1 (Melting / Freezing Temperature)
Qualifier:
according to guideline
Guideline:
OECD Guideline 102 (Melting point / Melting Range)
Qualifier:
according to guideline
Guideline:
other: DIN ISO 3016
GLP compliance:
not specified
Type of method:
pour point
Key result
Melting / freezing pt.:
5 °C
Atm. press.:
1 013 hPa
Remarks on result:
other: No specific melting point was observed. The reported temperature range corresponds to the pour point. Reported temperature is +- 3°C

Two signals were observed:

1: -57°C to + 6°C, peak maximum at -38°C, heat flow 13 J/g

2: +23°C to +40°C, peak maximum at + 29°C, heat flow < 1 J/g

these two signals do not reflect a normal melting process where the expected heat flow would be much higher.

No abrupt change of the physical state at a specific temperature was observed, but a continuously increasing viscosity of the sample over a wide temperature range reaching an almost solid state at – 40°C. This behaviour cannot be described with a conventional melting point but is more typical for amorphous products. Consequently, a melting point cannot be identified for the test item.

These findings are in line with the observations during the measurement of the pour point acording to DIN ISO 3016.

Conclusions:
A melting point for the test substance could not be identified. Instead, the substance's viscosity continually increased over a wide temperature range reaching an almost solid state at -40 °C.The cited melting range is therefore the reported pour point according to DIN ISO 3016 of the test substance, which is 5°C ± 3°C.
Executive summary:

A melting point for the test substance could not be identified. Instead, the substance's viscosity continually increased over a wide temperature range reaching an almost solid state at -40 °C.

The cited melting range is therefore the reported pour point of the test substance according to DIN ISO 3016, which is 5°C ± 3°C.
Endpoint:
melting point/freezing point
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
supporting study
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
other: no information available whether the calculation model is validated for the substance under investigation
Principles of method if other than guideline:
The melting point of imidazolium compounds, 2-(C17 and C17-unsatd. alkyl)-1-[2-(C18 and C18-unsatd. amido)ethyl]-4,5-dihydro-1-methyl, Me sulfates was calculated using EPIWIN v3.20, MPBPWIN v1.42.
Type of method:
other: calculation
Melting / freezing pt.:
349.84 °C

A melting point of 349.84°C was calculated using EPIWIN v3.20, MPBPWIN v1.42. Due to missing information about the applicability of the calculation model in respect to the substance under investigation the result should be treated with care.

Conclusions:
The melting point of imidazolium compounds, 2-(C17 and C17-unsatd. alkyl)-1-[2-(C18 and C18-unsatd. amido)ethyl]-4,5-dihydro-1-methyl, Me sulfates was calculated using EPIWIN v3.20, MPBPWIN v1.42. The calculation yielded a value of 349.84°C. Due to missing information about the applicability of the calculation model in respect to the substance under investigation the result should be treated with care.
Endpoint:
melting point/freezing point
Type of information:
migrated information: read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
supporting study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
EU Method A.1 (Melting / Freezing Temperature)
Qualifier:
according to guideline
Guideline:
OECD Guideline 102 (Melting point / Melting Range)
GLP compliance:
yes (incl. QA statement)
Type of method:
differential scanning calorimetry
Key result
Melting / freezing pt.:
76 °C
Atm. press.:
>= 98.5 - <= 99 kPa
Remarks on result:
other: +- 0.5 °C
Conclusions:
According EU Method A.1 (Melting / Freezing Temperature) the melting point of the test substance is 76.0 °C at atmospheric pressure.
Executive summary:

According EU Method A.1 (Melting / Freezing Temperature) the melting point of the test substance is 76.0 °C at atmospheric pressure.

Description of key information

The melting range of oleic-acid based IQAC, DMS quaternised, is 5°C±3°C.

Key value for chemical safety assessment

Melting / freezing point at 101 325 Pa:
5 °C

Additional information

A melting point for the test substance could not be identified. Instead, the substance's viscosity continually increased over a wide temperature range reaching an almost solid state at -40 °C.

The cited melting range is therefore the reported pour point of the test substance according to DIN ISO 3016.