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EC number: - | CAS number: -
Vapour pressure
Administrative data
Link to relevant study record(s)
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- March 2022
- 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 limited documentation / justification
- Justification for type of information:
- QSAR prediction:
The value is not an experimental result, however the QSAR model is recommended by the ECHA guidance document on information requirements, and is well documented with regard to validation parameters according to OECD principles. In addition, the substance investigated matches with the parameters of training set compounds and the result is considered as reliable with restriction. - Reason / purpose for cross-reference:
- reference to other study
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- QSAR Estimation
- Temp.:
- 25 °C
- Vapour pressure:
- 1.43 Pa
- Remarks on result:
- other: Antoine Method (0.0108 mmHg)
- Temp.:
- 25 °C
- Vapour pressure:
- 1.47 Pa
- Remarks on result:
- other: Modified Grain Method (0.011 mmHg)
- Conclusions:
- The Vapour Pressure for the test substance is estimated to be 1.47 Pa at 25°C (Modified Grain Method).
- Executive summary:
Vapour pressure of the test substance was estimated with the QSAR model MPBPWIN from Episuite.
The calculated Vapour Pressure is 1.47 Pa at 25°C (Modified Grain Method).
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- March 2022
- 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 limited documentation / justification
- Justification for type of information:
- QSAR prediction:
The value is not an experimental result, however the QSAR model is recommended by the ECHA guidance document on information requirements, and is well documented with regard to validation parameters according to OECD principles. In addition, the substance investigated matches with the parameters of training set compounds and the result is considered as reliable with restriction. - Reason / purpose for cross-reference:
- reference to other study
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- QSAR Estimation
- Temp.:
- 25 °C
- Vapour pressure:
- 2.31 Pa
- Remarks on result:
- other: Antoine Method (0.0173 mmHg)
- Temp.:
- 25 °C
- Vapour pressure:
- 2.28 Pa
- Remarks on result:
- other: Modified Grain Method (0.0171 mmHg)
- Conclusions:
- The Vapour Pressure for the test substance is estimated to be 2.28 Pa at 25°C (Modified Grain Method).
- Executive summary:
Vapour pressure of the test substance was estimated with the QSAR model MPBPWIN from Episuite.
The calculated Vapour Pressure is 2.28 Pa at 25°C (Modified Grain Method).
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- March 2022
- 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 limited documentation / justification
- Justification for type of information:
- QSAR prediction:
The value is not an experimental result, however the QSAR model is recommended by the ECHA guidance document on information requirements, and is well documented with regard to validation parameters according to OECD principles. In addition, the substance investigated matches with the parameters of training set compounds and the result is considered as reliable with restriction. - Reason / purpose for cross-reference:
- reference to other study
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- QSAR Estimation
- Temp.:
- 25 °C
- Vapour pressure:
- 0.008 Pa
- Remarks on result:
- other: Antoine Method (5.71E-05 mmHg)
- Temp.:
- 25 °C
- Vapour pressure:
- 0.01 Pa
- Remarks on result:
- other: Modified Grain Method (7.13E-05 mmHg)
- Conclusions:
- The Vapour Pressure for the test substance is estimated to be 0.00951 Pa at 25°C (Modified Grain Method).
- Executive summary:
Vapour pressure of the test substance was estimated with the QSAR model MPBPWIN from Episuite.
The calculated Vapour Pressure is 0.00951 Pa at 25°C (Modified Grain Method).
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- March 2022
- 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 limited documentation / justification
- Justification for type of information:
- QSAR prediction:
The value is not an experimental result, however the QSAR model is recommended by the ECHA guidance document on information requirements, and is well documented with regard to validation parameters according to OECD principles. In addition, the substance investigated matches with the parameters of training set compounds and the result is considered as reliable with restriction. - Reason / purpose for cross-reference:
- reference to other study
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- QSAR Estimation
- Temp.:
- 25 °C
- Vapour pressure:
- 9.73 Pa
- Remarks on result:
- other: Antoine Method (0.073 mmHg)
- Temp.:
- 25 °C
- Vapour pressure:
- 9.37 Pa
- Remarks on result:
- other: Mean of Antoine & Grain methods (0.0703 mmHg)
- Temp.:
- 25 °C
- Vapour pressure:
- 9.01 Pa
- Remarks on result:
- other: Modified Grain Method (0.0676 mmHg)
- Conclusions:
- The Vapour Pressure for the test substance is estimated to be 9.37 Pa at 25°C (Mean of Antoine & Grain methods).
- Executive summary:
Vapour pressure of the test substance was estimated with the QSAR model MPBPWIN from Episuite.
The calculated Vapour Pressure is 9.37 Pa at 25°C (Mean of Antoine & Grain methods).
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- March 2022
- 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 limited documentation / justification
- Justification for type of information:
- QSAR prediction:
The value is not an experimental result, however the QSAR model is recommended by the ECHA guidance document on information requirements, and is well documented with regard to validation parameters according to OECD principles. In addition, the substance investigated matches with the parameters of training set compounds and the result is considered as reliable with restriction. - Reason / purpose for cross-reference:
- reference to other study
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- QSAR Estimation
- Temp.:
- 25 °C
- Vapour pressure:
- 0.756 Pa
- Remarks on result:
- other: Antoine Method (0.00567 mmHg)
- Temp.:
- 25 °C
- Vapour pressure:
- 0.773 Pa
- Remarks on result:
- other: Modified Grain Method (0.0058 mmHg)
- Conclusions:
- The Vapour Pressure for the test substance is estimated to be 0.773 Pa at 25°C (Modified Grain Method).
- Executive summary:
Vapour pressure of the test substance was estimated with the QSAR model MPBPWIN from Episuite.
The calculated Vapour Pressure is 0.773 Pa at 25°C (Modified Grain Method).
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- March 2022
- 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 limited documentation / justification
- Justification for type of information:
- QSAR prediction:
The value is not an experimental result, however the QSAR model is recommended by the ECHA guidance document on information requirements, and is well documented with regard to validation parameters according to OECD principles. In addition, the substance investigated matches with the parameters of training set compounds and the result is considered as reliable with restriction. - Reason / purpose for cross-reference:
- reference to other study
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- QSAR Estimation
- Temp.:
- 25 °C
- Vapour pressure:
- 0.015 Pa
- Remarks on result:
- other: Antoine Method (0.000109 mmHg)
- Temp.:
- 25 °C
- Vapour pressure:
- 0.017 Pa
- Remarks on result:
- other: Modified Grain Method (0.000124 mmHg)
- Conclusions:
- The Vapour Pressure for the test substance is estimated to be 0.0165 Pa at 25°C (Modified Grain Method).
- Executive summary:
Vapour pressure of the test substance was estimated with the QSAR model MPBPWIN from Episuite.
The calculated Vapour Pressure is 0.0165 Pa at 25°C (Modified Grain Method).
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- March 2022
- 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 limited documentation / justification
- Justification for type of information:
- QSAR prediction:
The value is not an experimental result, however the QSAR model is recommended by the ECHA guidance document on information requirements, and is well documented with regard to validation parameters according to OECD principles. In addition, the substance investigated matches with the parameters of training set compounds and the result is considered as reliable with restriction. - Reason / purpose for cross-reference:
- reference to other study
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- QSAR Estimation
- Temp.:
- 25 °C
- Vapour pressure:
- 6.59 Pa
- Remarks on result:
- other: Antoine Method (0.0494 mmHg)
- Temp.:
- 25 °C
- Vapour pressure:
- 6.08 Pa
- Remarks on result:
- other: Modified Grain Method (0.0456 mmHg)
- Conclusions:
- The Vapour Pressure for the test substance is estimated to be 6.08 Pa at 25°C (Modified Grain Method).
- Executive summary:
Vapour pressure of the test substance was estimated with the QSAR model MPBPWIN from Episuite.
The calculated Vapour Pressure is 6.08 Pa at 25°C (Modified Grain Method).
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- March 2022
- 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 limited documentation / justification
- Justification for type of information:
- QSAR prediction:
The value is not an experimental result, however the QSAR model is recommended by the ECHA guidance document on information requirements, and is well documented with regard to validation parameters according to OECD principles. In addition, the substance investigated matches with the parameters of training set compounds and the result is considered as reliable with restriction. - Reason / purpose for cross-reference:
- reference to other study
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- QSAR Estimation
- Temp.:
- 25 °C
- Vapour pressure:
- 0.02 Pa
- Remarks on result:
- other: Antoine Method (0.000147 mmHg)
- Temp.:
- 25 °C
- Vapour pressure:
- 0.018 Pa
- Remarks on result:
- other: Modified Grain Method (0.000138 mmHg)
- Conclusions:
- The Vapour Pressure for the test substance is estimated to be 0.0184 Pa at 25°C (Modified Grain Method).
- Executive summary:
Vapour pressure of the test substance was estimated with the QSAR model MPBPWIN from Episuite.
The calculated Vapour Pressure is 0.0184 Pa at 25°C (Modified Grain Method).
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- March 2022
- 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 limited documentation / justification
- Justification for type of information:
- QSAR prediction:
The value is not an experimental result, however the QSAR model is recommended by the ECHA guidance document on information requirements, and is well documented with regard to validation parameters according to OECD principles. In addition, the substance investigated matches with the parameters of training set compounds and the result is considered as reliable with restriction. - Reason / purpose for cross-reference:
- reference to other study
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- QSAR Estimation
- Temp.:
- 25 °C
- Vapour pressure:
- 2.31 Pa
- Remarks on result:
- other: Antoine Method (0.0173 mmHg)
- Temp.:
- 25 °C
- Vapour pressure:
- 2.28 Pa
- Remarks on result:
- other: Modified Grain Method (0.0171mmHg)
- Conclusions:
- The Vapour Pressure for the test substance is estimated to be 2.28 Pa at 25°C (Modified Grain Method).
- Executive summary:
Vapour pressure of the test substance was estimated with the QSAR model MPBPWIN from Episuite.
The calculated Vapour Pressure is 2.28 Pa at 25°C (Modified Grain Method).
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- March 2022
- 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 limited documentation / justification
- Justification for type of information:
- QSAR prediction:
The value is not an experimental result, however the QSAR model is recommended by the ECHA guidance document on information requirements, and is well documented with regard to validation parameters according to OECD principles. In addition, the substance investigated matches with the parameters of training set compounds and the result is considered as reliable with restriction. - Reason / purpose for cross-reference:
- reference to other study
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- QSAR Estimation
- Temp.:
- 25 °C
- Vapour pressure:
- 4.55 Pa
- Remarks on result:
- other: Antoine Method (0.0341 mmHg)
- Temp.:
- 25 °C
- Vapour pressure:
- 4.41 Pa
- Remarks on result:
- other: Modified Grain Method (0.0331 mmHg)
- Conclusions:
- The Vapour Pressure for the test substance is estimated to be 4.41 Pa at 25°C (Modified Grain Method).
- Executive summary:
Vapour pressure of the test substance was estimated with the QSAR model MPBPWIN from Episuite.
The calculated Vapour Pressure is 4.41 Pa at 25°C (Modified Grain Method).
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- March 2022
- 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 limited documentation / justification
- Justification for type of information:
- QSAR prediction:
The value is not an experimental result, however the QSAR model is recommended by the ECHA guidance document on information requirements, and is well documented with regard to validation parameters according to OECD principles. In addition, the substance investigated matches with the parameters of training set compounds and the result is considered as reliable with restriction. - Reason / purpose for cross-reference:
- reference to other study
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- QSAR Estimation
- Temp.:
- 25 °C
- Vapour pressure:
- 0.107 Pa
- Remarks on result:
- other: Antoine Method (0.000801 mmHg)
- Temp.:
- 25 °C
- Vapour pressure:
- 0.119 Pa
- Remarks on result:
- other: Modified Grain Method (0.00089 mmHg)
- Conclusions:
- The Vapour Pressure for the test substance is estimated to be 0.119 Pa at 25°C (Modified Grain Method).
- Executive summary:
Vapour pressure of the test substance was estimated with the QSAR model MPBPWIN from Episuite.
The calculated Vapour Pressure is 0.119 Pa at 25°C (Modified Grain Method).
Referenceopen allclose all
Description of key information
The calculated vapour pressure of the test item based on partial pressure of known contituents is estimated to be in the range between 0.00951 and 9.37 Pa at 25°C.
Key value for chemical safety assessment
Additional information
No study was conducted on the test chemical iself, as not relevant for an UVCB.
The vapour pressure of the test item was calculated from data on its known constituents (covering almost the 64% of the composition). Data on the known constituents, presented here below, were reliably estimated using the recommended QSAR(EpiSuite):
| Constituent | VP (Pa) at 25°C |
| Thujopsene | 9.37 |
| Cedrol | 0.0165 |
| Cedrene alpha | 0.0184 |
| Cedrene beta | 6.08 |
| Cuparene | 0.773 |
| Widdrol | 0.00951 |
| alpha Chamigrene | 2.28 |
| β-himachalene | 1.47 |
| Alpha-Pseudowiddrene | 2.28 |
| Beta-Acoradiene | 4.41 |
| 3-phenylpropionic acid | 0.119 |
All the constituents fall inside the Applicability domain of the model.
As the substance is an UVCB, the vapour pressure is estimated by the lowest and the highest values of vapour pressure of known constituents.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
