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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
Study period:
From September 2017 to December 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 102 (Melting point / Melting Range)
Version / remarks:
1995
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.1 (Melting / Freezing Temperature)
Version / remarks:
2016
Deviations:
no
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7200 (Melting Point / Melting Range)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
differential scanning calorimetry
Specific details on test material used for the study:
- Appearance: Pink liquid
- Test item storage: At room temperature protected from light
- Purity/Composition correction factor: No correction factor required
Key result
Melting / freezing pt.:
-4.1 °C
Atm. press.:
1 018 hPa
Decomposition:
no

Preliminary Test

Starting at 100°C, the weight of the sample decreased significantly. At 142°C, the sample weight had decreased by 25%. After the experiment it was observed that the test item was evaporated from the samplecontainer.

Main study

In a first experiment, an exothermic peak between -20°C and 0°C was found during cooling (results are archived in the raw data). The effect was obtained due to crystallization of the test item. During heating, an endothermic peak was observed between -25°C and 25°C. The extrapolated onset temperature of the peak was -4.066°C. The endothermic effect was due to melting of the test item.

In order to investigate the melting peak, a second experiment was performed as a duplicate of the first experiment. Similar results as in the first experiment were obtained. The extrapolated onset of the melting peak was -4.044°C.

The melting temperature was determined as the mean melting temperature of the first experiment (-4.066°C) and second experiment (-4.044°C).

Conclusions:
The melting temperature of the test item was -4.1°C (269.1K).
Executive summary:

The melting point of the test item was investigated in a GLP-compliant study performed in accordance with EC A.1 Method and OECD Guideline No. 102, using Differential Scanning Calorimetry (DSC). The melting point of the test item was determined to be -4.1°C.

Endpoint:
melting point/freezing point
Type of information:
other: literature data
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Remarks:
Literature data coming from public database including a recognized database (SRC PhysProp Database part of EPISuite QSAR)
Guideline:
other: no guideline was specified in the differents literature data
GLP compliance:
not specified
Type of method:
other: method not specified
Melting / freezing pt.:
-9 °C
Remarks on result:
other: Atmospheric pressure not specified. Data coming from a recognized database: SRC PhysProp Database

The freezing point for the test substance was specify to be -9°C in a literature source. This data comes from a recognized database : PHYSPROP (part of EPISuite QSAR)

No atmospheric pressure was indicated for the freezing point value. It is assumed that this parameter was determined at normal atmospheric pressure

Conclusions:
The freezing point of the test substance is -9°C
Executive summary:

A data coming from a recognized international database (SRC PhysProp Database part of EPISuite QSAR) give a freezing point for the test substance of: -9°C.

Endpoint:
melting point/freezing point
Type of information:
other: literature data
Adequacy of study:
supporting study
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
documentation insufficient for assessment
Qualifier:
no guideline followed
Principles of method if other than guideline:
No information available
GLP compliance:
no
Melting / freezing pt.:
-9 °C
Remarks on result:
other: Pressure and decomposition products not reported
Conclusions:
A melting point of -9 °C was reported for DIOFB.
Executive summary:

Only the result was reported and no information about the method used was provided; therefore the reliability of the data is not assignable.

Endpoint:
melting point/freezing point
Type of information:
other: literature data
Adequacy of study:
supporting study
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
documentation insufficient for assessment
Qualifier:
no guideline followed
Principles of method if other than guideline:
No information available
GLP compliance:
no
Melting / freezing pt.:
-3 °C
Remarks on result:
other: Pressure not reported
Conclusions:
A melting point of -3 °C was reported for DIOFB.
Executive summary:

Only the result was reported and no information about the method used was provided; therefore the reliability of the data is not assignable.

Endpoint:
melting point/freezing point
Type of information:
other: literature data
Adequacy of study:
supporting study
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
documentation insufficient for assessment
Remarks:
Literature data coming from public database without sufficient documentation to assess reliability
Guideline:
other: no guideline was specified in the different literature data
GLP compliance:
not specified
Type of method:
other: method not specified
Melting / freezing pt.:
-9 °C
Remarks on result:
other: Atmospheric pressure not specified. Data coming from Yaws' Handbook of Physical Properties for Hydrocarbons and Chemicals 2008
Melting / freezing pt.:
-9 °C
Remarks on result:
other: Atmospheric pressure not specified. Data coming from Yaws' Critical Property Data for Chemical Engineers and Chemists 2012; 2013; 2014
Melting / freezing pt.:
-9 °C
Remarks on result:
other: Atmospheric pressure not specified. Data coming from Knovel Critical Tables (2nd Edition) 2008

The freezing point for the test substance was specify to be -9°C in three different literature sources.

No atmospheric pressure was indicated for the freezing point value. It is assumed that this parameter was determined at normal atmospheric pressure

Conclusions:
The freezing point of the test substance is -9°C
Executive summary:

Three data coming from different literature sources give the same value for the freezing point of the test substance: -9°C.

Description of key information

The melting point of the test item was investigated in a GLP-compliant study performed in accordance with EC A.1 Method and OECD Guideline No. 102, using Differential Scanning Calorimetry (DSC). The melting point of the test item was determined to be -4.1°C. This experimental value is further supported by data from the literature.

Key value for chemical safety assessment

Melting / freezing point at 101 325 Pa:
-4.1 °C

Additional information

The melting point of the test item was investigated in a GLP-compliant study performed in accordance with standard methods, without deviations. The study is considered as reliable (Klimisch 1) and is selected as a key study for the endpoint. Literature data are also reported for the endpoint and selected as supporting studies (Klimisch 2 or 4).