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Physical & Chemical properties

Melting point / freezing point

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Endpoint:
melting point/freezing point
Type of information:
other: data from peer reviewed handbook
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Principles of method if other than guideline:
No data on test method
GLP compliance:
not specified
Type of method:
other: No data
Key result
Melting / freezing pt.:
>= 45 - <= 48 °C
Remarks on result:
other: No data on atm. press.
Conclusions:
The melting point of Camphene was 45 -48 ºC.
Executive summary:

The melting point of Camphene was 45 -48 ºC.

Endpoint:
melting point/freezing point
Type of information:
other: data from peer reviewed handbook
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Principles of method if other than guideline:
No data on test method.
GLP compliance:
no
Type of method:
other: No data
Key result
Melting / freezing pt.:
-74 °C
Atm. press.:
1 atm
Remarks on result:
other: 95 % confidence limits: -70 to -78ºC
Conclusions:
The melting point of the test item is -74 ºC
Executive summary:

According to the peer reviewed handbook, the melting point of the test item is -74ºC at 760 mmHg ( 95% CL: -70 to -78ºC).

Endpoint:
melting point/freezing point
Type of information:
other: data from peer reviewed handbook
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Principles of method if other than guideline:
No data on test method.
GLP compliance:
no
Key result
Melting / freezing pt.:
-74 °C
Atm. press.:
1 atm
Remarks on result:
other: 95 % confidence limits: -73.4 to -74.6ºC
Conclusions:
The melting point of the test item is -74.0 ºC
Executive summary:

According to the peer reviewed handbook, the melting point of the test item is -74ºC at 760 mmHg ( 95% CL: -73.6 to -74.6ºC).

Endpoint:
melting point/freezing point
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
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
Remarks:
Internationally accepted method, EPI-Suite, EPA (USA)
Justification for type of information:
See attached the QMRF and QPRF for the QSAR model
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
Gold, P.I. and Ogle, G.J. 1969. Estimating thermophysical properties of liquids. Part 4 - Boiling, freezing and triple-point temperatures. Chem. Eng. 76: 119.
Joback, K.G. 1982. A Unified Approach to Physical Property Estimation Using Multivariate Statistical Techniques. Stevens Institute of Technology, submitted to the Dept. of Chem. Eng. for M.S. Degree at the Massachusetts Institute of Technology in June 1984.
Reid, R.C., Prausnitz, J.M. and Poling, B.E. 1987. The Properties of Gases and Liquids. Fourth edition. NY: McGraw-Hill, Inc., Chapter 2.
Specific details on test material used for the study:
SMILES: C(=CCC(C(=C)C)C1)(C1)C
Key result
Melting / freezing pt.:
-40.76 °C
Atm. press.:
1 atm
Remarks on result:
other: QSAR predicted value

MPBPVP predicted that l-limonene has a melting point of -40.76ºC.

Conclusions:
The estimated melting point is -40.76 ºC (EPI-Suite, MPBPWIN v1.43)
Executive summary:

The substance estimated melting point is -40.76ºC (EPI-Suite, MPBPWIN v1.43)

Endpoint:
melting point/freezing point
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
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
Remarks:
Internationally accepted method, EPI-Suite, EPA (USA)
Justification for type of information:
See attached the QMRF and QPRF for the QSAR model


Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
Gold, P.I. and Ogle, G.J. 1969. Estimating thermophysical properties of liquids. Part 4 - Boiling, freezing and triple-point temperatures. Chem. Eng. 76: 119.
Joback, K.G. 1982. A Unified Approach to Physical Property Estimation Using Multivariate Statistical Techniques. Stevens Institute of Technology, submitted to the Dept. of Chem. Eng. for M.S. Degree at the Massachusetts Institute of Technology in June 1984.
Reid, R.C., Prausnitz, J.M. and Poling, B.E. 1987. The Properties of Gases and Liquids. Fourth edition. NY: McGraw-Hill, Inc., Chapter 2.
Specific details on test material used for the study:
SMILES: C(=C(C)C)(CCC(=C1)C)C1
Key result
Melting / freezing pt.:
-29.51 °C
Atm. press.:
1 atm
Remarks on result:
other: QSAR predicted value

MPBPVP predicted that terpinolene has a melting point of -29.51ºC.

Conclusions:
The estimated melting point is -29.51 ºC (EPI-Suite, MPBPWIN v1.43)
Executive summary:

The substance estimated melting point is -29.51ºC (EPI-Suite, MPBPWIN v1.43)

Endpoint:
melting point/freezing point
Type of information:
other: data from peer reviewed handbook
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Principles of method if other than guideline:
No data provided on test method
GLP compliance:
not specified
Type of method:
other: No data
Key result
Melting / freezing pt.:
>= 50 - <= 51 °C
Remarks on result:
other: no data on Atm. press.
Conclusions:
The melting point of camphene is 50 -51 ºC.
Executive summary:

The melting point of camphene is 50 -51 ºC.

Endpoint:
melting point/freezing point
Type of information:
other: data from peer reviewed handbook
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Principles of method if other than guideline:
No data on test method.
GLP compliance:
no
Type of method:
other: no data
Key result
Melting / freezing pt.:
214.12 K
Atm. press.:
1 atm
Remarks on result:
other: (-59.03ºC)
Conclusions:
The melting point of the test item is -59.03 ºC.
Executive summary:

According to the peer reviewed handbook, the melting point of the test item is -59.03ºC.

Endpoint:
melting point/freezing point
Type of information:
other: data from peer reviewed handbook
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Principles of method if other than guideline:
No data on test method.
GLP compliance:
no
Key result
Melting / freezing pt.:
1.4 °C
Atm. press.:
1 atm
Remarks on result:
other: 95 % confidence limits: 1.1 to 1.7ºC
Conclusions:
The melting point of the test item is 1.4 ºC
Executive summary:

According to the peer reviewed handbook, the melting point of the test item is 1.4ºC at 760 mmHg ( 95% CL: 1.1 to 1.7ºC).

Description of key information

Weight of evidence: Individual melting point of the main components are available from peer reviewed handbooks and EpiSuite calculation. Most of the components are liquids at room temperature with melting points lower than -20ºC. The melting point of the test substance has been determined to be -29.5ºC which corresponds with the highest melting point of the major liquid components of the test substance.

Key value for chemical safety assessment

Melting / freezing point at 101 325 Pa:
-29.5 °C

Additional information

Weight of evidence: Individual melting point of the main components are available from peer reviewed handbooks and EpiSuite calculation:

Terpinolene: EPI-Suite, MPBPWIN v1.43. The melting point is -29.5ºC.

Camphene: Sax’s Handbook peer reviewed. The melting point is 50-51ºC; Brandes Handbook peer reviewed. The melting point is 45-48ºC.

L-limonene: EPI-Suite, MPBPWIN v1.43. The melting point is -40.76ºC.

D-Limonene: CRC Handbook peer reviewed. The melting point is -74.0ºC.

Alpha terpinene: Yaws Handbook peer reviewed. The melting point is -59.03 ºC.

Alpha pinene: CRC Handbook peer reviewed. The melting point is -74.0ºC.

Cineole: CRC Handbook peer reviewed. The melting point is 1.4ºC.

Based on the composition of the substance and a weight of evidence approach, the melting point is determined to be -29.5ºC.