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Boiling point

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Endpoint:
boiling 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:
OECD Guideline 103 (Boiling Point)
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.2 (Boiling Temperature)
Version / remarks:
2016
Deviations:
no
Qualifier:
according to
Guideline:
EPA OPPTS 830.7220 (Boiling Point / Boiling Range)
GLP compliance:
yes (incl. certificate)
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
Boiling pt.:
150.4 °C
Atm. press.:
1 018 hPa

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 sample container.

Main study

In a first experiment, an endothermic peak was observed between -25°C and 25°C during heating. The extrapolated onset temperature of the peak was -4.066°C. The endothermic effect was due to melting of the test item. Another endothermic peak was observed between 100°C and 175°C. The extrapolated onset temperature of the peak was 150.826°C. The endothermic effect was most likely obtained due to boiling of the test item. After the experiment it was observed that the test item had evaporated from the sample container.

In order to investigate the boiling peak, a higher heating rate of 50°C/minute was used in a second experiment. The extrapolated onset temperature was 151.113°C. The endothermic peak had not shifted to higher temperatures. It demonstrated that boiling of the test item caused the endothermic effect. After the experiment it was observed that the test item had evaporated from the sample container.

A third experiment was performed as a duplicate of the first experiment. Similar results as in the first experiment were obtained. The extrapolated onset of the boiling peak was 150.054°C. After the experiment it was observed that the test item had evaporated from the sample container.

The boiling temperature was determined as the mean boiling temperature of the first experiment (150.826°C) and third experiment (150.054°C).

Conclusions:
The boiling temperature of the test item was 150.4°C (423.6K).
Executive summary:

The boiling point of the test item was investigated in a GLP-compliant study performed in accordance with EC A.2 Method and OECD Guideline No. 103, using Differential Scanning Calorimetry (DSC). The boiling temperature of the test item was 150.4°C (423.6K).

Endpoint:
boiling 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 a recognized database (SRC PhysProp Database part of EPISuite QSAR)
Guideline:
other: no guideline was specified in the different literature data
GLP compliance:
not specified
Type of method:
other: no data
Boiling pt.:
150 °C
Remarks on result:
other: Atmospheric pressure not specified. Data coming from a recognized database: SRC PhysProp Database

The boiling point for the test substance was reported to be 150°C in a recognized database : PHYSPROP (part of EPISuite QSAR).

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

Conclusions:
The boiling point of the test substance is 150°C
Executive summary:

Data coming from different literature sources give boiling point value for the test substance: 150°C.

This value is issued from a recognized international database (SRC PhysProp Database part of EPISuite QSAR), that ensures the good reliability of this boiling point value.

Endpoint:
boiling 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
Boiling pt.:
80 - 82 °C
Atm. press.:
100 mm Hg
Conclusions:
A boiling point of 80-82 °C at 100 mm Hg 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:
boiling 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 article without sufficient documentation for reliability assessment
Guideline:
other: no guideline was specified in the different literature data
GLP compliance:
not specified
Type of method:
other: no data
Boiling pt.:
145 °C
Remarks on result:
other: Atmospheric pressure not specified but assumed to be equal to the atmospheric pressure. Data coming from published article

The boiling point for the test substance was stated to be 145°C.

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

Conclusions:
The boiling point of the test substance is 145°C
Executive summary:

A literature data gives a boiling point of 145°C for this test substance.

Endpoint:
boiling 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 article without sufficient documentation for reliability assessment
Guideline:
other: no guideline was specified in the different literature data
GLP compliance:
not specified
Type of method:
other: no data
Boiling pt.:
150 °C
Remarks on result:
other: This data was obtained using Electrotopological state for its calculation.

The boiling point for the test substance was reported to be 150°C in a literature source. This data was obtained by calculation using "Electropological state indices".

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

Conclusions:
The boiling point of the test substance is 150°C
Executive summary:

A literature source gives a boiling point value of the test substance of 150°C.

This value was obtained by calculation using the "Electrotopological state indices".

Endpoint:
boiling 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
Boiling pt.:
150 °C
Remarks on result:
other: Pressure was not reported
Conclusions:
A boiling point of 150 °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:
boiling 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
Boiling pt.:
59 - 62 °C
Atm. press.:
32 mm Hg
Conclusions:
A boiling point of 59-62 °C at 32 mm Hg 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:
boiling 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
Boiling pt.:
63 °C
Atm. press.:
35 mm Hg
Conclusions:
A boiling point of 63 °C at 35 mm Hg 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:
boiling 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 for reliability assessment
Guideline:
other: no guideline was specified in the different literature data
GLP compliance:
not specified
Type of method:
other: method not specified
Boiling pt.:
150 °C
Remarks on result:
other: Atmospheric pressure not specified. Data coming from: "Yaws' Handbook of Physical Properties for Hydrocarbons and Chemicals 2008"
Boiling pt.:
150 °C
Remarks on result:
other: Atmospheric pressure not specified. Data coming from:"Yaws' Thermophysical Properties of Chemicals and Hydrocarbons (Electronic Edition) 2010"
Boiling pt.:
150 °C
Remarks on result:
other: Atmospheric pressure not specified. Data coming from: "Yaws' Critical Property Data for Chemical Engineers and Chemists 2012, 2013, 2014"
Boiling pt.:
150 °C
Remarks on result:
other: Atmospheric pressure not specified. Data coming from:"Knovel Critical Tables (2nd Edition) 2008"

The boiling point for the test substance was reported to be 150°C in four different literature sources cited in the same public database.

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

Conclusions:
The boiling point of the test substance is 150°C
Executive summary:

Four literature references (obtained in the same database) give the same value for the boiling point of the test substance: 150°C.

Description of key information

The boiling point of the test item was investigated in a GLP-compliant study performed in accordance with EC A.2 Method and OECD Guideline No. 103, using Differential Scanning Calorimetry (DSC). The boiling temperature of the test item was 150.4°C (423.6K). This experimental value is further supported by data from the literature.

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
150.4 °C

Additional information

The boiling 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).