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Boiling point

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Endpoint:
boiling 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
Boiling pt.:
>= 158 - <= 159 °C
Remarks on result:
other: No data on Atm. press.
Conclusions:
The boiling point of Camphene was 158 -159 ºC.
Executive summary:

The boiling point of Camphene was 158 -159 ºC.

Endpoint:
boiling 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
Boiling pt.:
156.3 °C
Atm. press.:
760 mm Hg
Remarks on result:
other: 95 % confidence limits: 155.8-156.8ºC
Conclusions:
The boling point of the test item is 156.3ºC.
Executive summary:

According to the peer reviewed handbook, the boiling point of the test item is 156.3ºC at 760 mmHg ( 95 % CL: 155.8-156.8ºC)

Endpoint:
boiling 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
Boiling pt.:
174 °C
Atm. press.:
760 mm Hg
Remarks on result:
other: 95 % confidence limits: 170-178ºC
Conclusions:
The boling point of the test item is 174ºC.
Executive summary:

According to the peer reviewed handbook, the boiling point of the test item is 174ºC at 760 mmHg ( 95 % CL: 170-178ºC).

Endpoint:
boiling 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
Boiling pt.:
177.6 °C
Atm. press.:
760 mm Hg
Remarks on result:
other: 95 % confidence limits: 177.1-178.1ºC
Conclusions:
The boling point of the test item is 177.6ºC.
Executive summary:

According to the peer reviewed handbook, the boiling point of the test item is 177.6ºC at 760 mmHg ( 95 % CL: 177.1-178.1ºC)

Endpoint:
boiling 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
Boiling pt.:
178 °C
Atm. press.:
760 mm Hg
Remarks on result:
other: 95 % confidence limits: 177-179ºC
Conclusions:
The boling point of the test item is 178ºC.
Executive summary:

According to the peer reviewed handbook, the boiling point of the test item is 178ºC at 760 mmHg ( 95 % CL: 177-179ºC)

Endpoint:
boiling 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
Boiling pt.:
187 °C
Atm. press.:
760 mm Hg
Remarks on result:
other: 95 % confidence limits: 184-190ºC
Conclusions:
The boling point of the test item is 187ºC.
Executive summary:

According to the peer reviewed handbook, the boiling point of the test item is 187ºC at 760 mmHg ( 95 % CL: 184-190ºC)

Endpoint:
boiling 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
Boiling pt.:
>= 155 - <= 156 °C
Atm. press.:
760 mm Hg
Conclusions:
The boling point of the test item is 155-156ºC.
Executive summary:

According to the peer reviewed handbook, the boiling point of the test item is 155 -156ºC at 760 mmHg.

Endpoint:
boiling 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
Boiling pt.:
159 °C
Remarks on result:
other: No data on Atm. press.
Conclusions:
The boiling point of camphene is 159 ºC.
Executive summary:

The boiling point of camphene is 159 ºC.

Endpoint:
boiling 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
Boiling pt.:
447.2 K
Atm. press.:
760 mm Hg
Remarks on result:
other: (174.05ºC)
Conclusions:
The boling point of the test item is 174.05ºC.
Executive summary:

According to the peer reviewed handbook, the boiling point of the test item is 174.05ºC.

Endpoint:
boiling 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
Boiling pt.:
176 °C
Atm. press.:
760 mm Hg
Remarks on result:
other: 95 % confidence limits: 172-180ºC
Conclusions:
The boling point of the test item is 176ºC.
Executive summary:

According to the peer reviewed handbook, the boiling point of the test item is 176ºC at 760 mmHg ( 95 % CL: 172-180ºC)

Endpoint:
boiling 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
Boiling pt.:
183 °C
Atm. press.:
760 mm Hg
Remarks on result:
other: 95 % confidence limits: 178-188ºC
Conclusions:
The boling point of the test item is 183ºC.
Executive summary:

According to the peer reviewed handbook, the boiling point of the test item is 183ºC at 760 mmHg ( 95 % CL: 178-188ºC)

Endpoint:
boiling 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
Boiling pt.:
456.2 K
Atm. press.:
760 mm Hg
Remarks on result:
other: (183.05ºC)
Conclusions:
The boling point of the test item is 183.05ºC.
Executive summary:

According to the peer reviewed handbook, the boiling point of the test item is 183.05ºC.

Endpoint:
boiling 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
Boiling pt.:
493.15 K
Atm. press.:
760 mm Hg
Remarks on result:
other: (220ºC)
Conclusions:
The boling point of the test item is 220ºC.
Executive summary:

According to the peer reviewed handbook, the boiling point of the test item is 220ºC at 760 mmHg.

Endpoint:
boiling 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:
Stein, S.E. and Brown, R.L. 1994. Estimation of normal boiling points from group contributions. J. Chem. Inf. Comput. Sci. 34: 581-7.
Specific details on test material used for the study:
SMILES: CC(C)C1=CCC(C)(O)CC1
Key result
Boiling pt.:
211.85 °C
Atm. press.:
1 atm
Remarks on result:
other: QSAR predicted value

MPBPVP predicted that the substance has a boiling point of 211.85ºC

Conclusions:
The calculated boiling point is 211.85ºC (EPI-Suite, EPA USA/MPBPVP 1.43).
Executive summary:

The calculated boiling point of the substance is 211.85ºC (EPI-Suite, EPA USA/MPBPVP 1.43).

Endpoint:
boiling 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:
Stein, S.E. and Brown, R.L. 1994. Estimation of normal boiling points from group contributions. J. Chem. Inf. Comput. Sci. 34: 581-7.
Specific details on test material used for the study:
SMILES: CC(C)C12CC1C(C)C=C2
Key result
Boiling pt.:
143.83 °C
Atm. press.:
1 atm
Remarks on result:
other: QSAR predicted value

MPBPVP predicted that the substance has a boiling point of 143.83ºC

Conclusions:
The calculated boiling point is 143.83ºC (EPI-Suite, EPA USA/MPBPVP 1.43).
Executive summary:

The calculated boiling point of the substance is 143.83ºC (EPI-Suite, EPA USA/MPBPVP 1.43).

Endpoint:
boiling 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:
Stein, S.E. and Brown, R.L. 1994. Estimation of normal boiling points from group contributions. J. Chem. Inf. Comput. Sci. 34: 581-7.
Specific details on test material used for the study:
SMILES: C[C@@]12CC[C@@H](C1)C(C)(C)[C@H]2O
Key result
Boiling pt.:
209.98 °C
Atm. press.:
1 atm
Remarks on result:
other: QSAR predicted value

MPBPVP predicted that the substance has a boiling point of 209.98ºC

Conclusions:
The calculated boiling point is 209-98ºC (EPI-Suite, EPA USA/MPBPVP 1.43).
Executive summary:

The calculated boiling point of the substance is 209.98ºC (EPI-Suite, EPA USA/MPBPVP 1.43).

Endpoint:
boiling 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:
Stein, S.E. and Brown, R.L. 1994. Estimation of normal boiling points from group contributions. J. Chem. Inf. Comput. Sci. 34: 581-7.
Specific details on test material used for the study:
SMILES: CC(=C1CCC(C)(O)CC1)C
Key result
Boiling pt.:
219.87 °C
Atm. press.:
1 atm
Remarks on result:
other: QSAR predicted value

MPBPVP predicted that the substance has a boiling point of 219.87 ºC.

Conclusions:
The calculated boiling point is 219.87 ºC (EPI-Suite, EPA USA/MPBPVP 1.43).
Executive summary:

The calculated boiling point of the substance is 219.87ºC (EPI-Suite, EPA USA/MPBPVP 1.43).

Endpoint:
boiling 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
Boiling pt.:
210 °C
Atm. press.:
760 mm Hg
Conclusions:
The boling point of the test item is 210ºC.
Executive summary:

According to the peer reviewed handbook, the boiling point of the test item is 210ºC.

Endpoint:
boiling 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
Boiling pt.:
161 °C
Atm. press.:
760 mm Hg
Conclusions:
The boiling point of the test item is 161ºC.
Executive summary:

According to the peer reviewed handbook, the boiling point of the test item is 161ºC.

Endpoint:
boiling 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
Boiling pt.:
173.5 °C
Atm. press.:
760 mm Hg
Conclusions:
The boiling point of the test item is 173.5ºC.
Executive summary:

According to the peer reviewed handbook, the boiling point of the test item is 173.5ºC.

Endpoint:
boiling 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
Boiling pt.:
177 °C
Atm. press.:
760 mm Hg
Remarks on result:
other: 95 % confidence limits: 175-179ºC
Conclusions:
The boling point of the test item is 177ºC.
Executive summary:

According to the peer reviewed handbook, the boiling point of the test item is 177ºC at 760 mm Hg (95 % CL: 175-179ºC)

Endpoint:
boiling 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
Boiling pt.:
209 °C
Atm. press.:
760 mm Hg
Conclusions:
The boling point of the test item is 209ºC.
Executive summary:

According to the peer reviewed handbook, the boiling point of the test item is 209ºC.

Endpoint:
boiling point
Type of information:
(Q)SAR
Adequacy of study:
key study
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:
Stein, S.E. and Brown, R.L. 1994. Estimation of normal boiling points from group contributions. J. Chem. Inf. Comput. Sci. 34: 581-7.
Specific details on test material used for the study:
SMILES: CC1=CC[C@@H](CC1)C(C)(C)O
Key result
Boiling pt.:
214.38 °C
Atm. press.:
1 atm
Remarks on result:
other: QSAR predicted value

MPBPVP predicted that the substance has a boiling point of 214.38ºC

Conclusions:
The calculated boiling point is 214.38ºC (EPI-Suite, EPA USA/MPBPVP 1.43).
Executive summary:

The calculated boiling point of the substance is 214.38ºC (EPI-Suite, EPA USA/MPBPVP 1.43).

Endpoint:
boiling 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
Boiling pt.:
436.85 K
Remarks on result:
other: 163.7º C
Conclusions:
The boiling point of the test item is 163.7ºC.
Executive summary:

According to the peer reviewed handbook, the boiling point of the test item is 163.7ºC.

Endpoint:
boiling 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
Boiling pt.:
216 °C
Atm. press.:
760 mm Hg
Remarks on result:
other: 95 % confidence limits: 211-221ºC
Conclusions:
The boling point of the test item is 216ºC.
Executive summary:

According to the peer reviewed handbook, the boiling point of the test item is 216ºC (95% CL: 211 -221ºC).

Endpoint:
boiling 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
Boiling pt.:
212 °C
Remarks on result:
other: No information on atm. pressure provided
Conclusions:
The boiling point of borneol is 212 ºC.
Executive summary:

The boiling point of borneol is 212 ºC.

Description of key information

Weight of evidence: Individual boiling point of the main components are available from peer reviewed handbooks and EpiSuite calculation. The boiling point range of the main components is between ca. 144 and 220ºC. The boiling point of the test substance has been determined to be the lowest of the major components (>1%), i.e. 155ºC.

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
155 °C

Additional information

Weight of evidence: Individual boiling point of the main components are available from peer reviewed handbooks:

L-alpha terpineol: Yaws Handbook peer reviewed. The boiling point is 220 ºC.

D-alpha terpineol: EPI-Suite, MPBPWIN v1.43. The boiling point is 214.38ºC.

Beta-terpineol: CRC Handbook peer reviewed. The boiling point is 210ºC.

Terpinolene: CRC Handbook peer reviewed. The boiling point is 187ºC.

Cineole: CRC Handbook peer reviewed. The boiling point is 176ºC.

Isocineole: CRC Handbook peer reviewed. The boiling point is 173.5ºC.

L-Limonene: CRC Handbook peer reviewed. The boiling point is 178ºC.

D-Limonene: CRC Handbook peer reviewed. The boiling point is 177.6ºC.

Camphene: Sax’s Handbook peer reviewed. The boiling point is 159ºC; Brandes Handbook peer reviewed. The boiling point is 158-159ºC

D-camphene: CRC Handbook peer reviewed. The boiling point is 161ºC.

Alpha terpinene: Yaws Handbook peer reviewed. The boiling point is 174.05 ºC; CRC Handbook peer reviewed. The boiling point is 174 ºC.

Gamma terpinene: Yaws Handbook peer reviewed. The boiling point is 183.05 ºC; CRC Handbook peer reviewed. The boiling point is 183 ºC.

Alpha pinene: Merck Handbook peer reviewed. The boiling point is 155-156ºC; CRC Handbook peer reviewed: The boiling point is 156.3 ºC

Terpinen-4-ol: CRC Handbook peer reviewed. The boiling point is 209ºC.

Paracymene: CRC Handbook peer reviewed. The boiling point is 177ºC.

Sabinene: Yaws Handbook peer reviewed. The boiling point is 163.7ºC.

Borneol: Hawley Handbook peer reviewed. The boiling point is 212ºC.

Estragole: CRC Handbook peer reviewed. The boiling point is 216ºC.

3 -terpinen-1 -ol: EPI-Suite, MPBPWIN v1.43. The boiling point is 211.85ºC.

Gamma terpineol: EPI-Suite, MPBPWIN v1.43. The boiling point is 219.87ºC.

Beta thujene: EPI-Suite, MPBPWIN v1.43. The boiling point is 143.83ºC.

Beta fenchol: EPI-Suite, MPBPWIN v1.43. The melting point is 209.98ºC.

Based on the composition of the substance and a weight of evidence approach, the boiling point is determined to be 155ºC.