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Vapour pressure

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Endpoint:
vapour pressure
Type of information:
other: Peer reviewed publication
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
Temp.:
25 °C
Vapour pressure:
2.5 mm Hg

The vapour pressure of camphene was 2.5 mm Hg or 335 Pa at 25 ºC.

Conclusions:
The vapour pressure of camphene was 2.5 mm Hg (335 Pa) at 25 ºC.
Executive summary:

The vapour pressure of camphene was 2.5 mm Hg (335 Pa) at 25 ºC.

Endpoint:
vapour pressure
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:
Lyman, W.J.1985. In: Environmental Exposure From Chemicals. Volume I., Neely,W.B. and Blau,G.E. (eds), Boca Raton, FL: CRC Press, Inc., Chapter 2.
Lyman, W.J., Reehl, W.F. and Rosenblatt, D.H. 1990. Handbook of Chemical Property Estimation Methods. Washington, DC: American Chemical Society, Chapter 14.
Specific details on test material used for the study:
SMILES: C(=CC=C(C1)C)(C1)C(C)C
Key result
Temp.:
25 °C
Vapour pressure:
222 Pa
Remarks on result:
other: QSAR predicted value

MPBPVP predicted that alpha terpinene has a VP of 222 Pa.

Conclusions:
The estimated vapour pressure at 25 ºC is 222 Pa (EPI-Suite, MPBPVP v1.43)
Executive summary:

The estimated vapour pressure at 25 ºC is 222 Pa (EPI-Suite, MPBPVP v1.43)

Endpoint:
vapour pressure
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:
Lyman, W.J.1985. In: Environmental Exposure From Chemicals. Volume I., Neely,W.B. and Blau,G.E. (eds), Boca Raton, FL: CRC Press, Inc., Chapter 2.
Lyman, W.J., Reehl, W.F. and Rosenblatt, D.H. 1990. Handbook of Chemical Property Estimation Methods. Washington, DC: American Chemical Society, Chapter 14.
Specific details on test material used for the study:
SMILES: C(C(CC1C2)C2)(C1(C)C)=C
Key result
Temp.:
25 °C
Vapour pressure:
237 Pa
Remarks on result:
other: QSAR predicted value

MPBPVP predicted that camphene has a VP of 237 Pa.

Conclusions:
The estimated vapour pressure at 25 ºC is 237 Pa (EPI-Suite, MPBPVP v1.43)
Executive summary:

The estimated vapour pressure at 25 ºC is 237 Pa (EPI-Suite, MPBPVP v1.43)

Endpoint:
vapour pressure
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:
Lyman, W.J.1985. In: Environmental Exposure From Chemicals. Volume I., Neely,W.B. and Blau,G.E. (eds), Boca Raton, FL: CRC Press, Inc., Chapter 2.
Lyman, W.J., Reehl, W.F. and Rosenblatt, D.H. 1990. Handbook of Chemical Property Estimation Methods. Washington, DC: American Chemical Society, Chapter 14.
Specific details on test material used for the study:
SMILES: C(=CCC(C(=C)C)C1)(C1)C
Key result
Temp.:
25 °C
Vapour pressure:
193 Pa
Remarks on result:
other: QSAR predicted value

MPBPVP predicted that l-limonene has a VP of 193 Pa.

Conclusions:
The estimated vapour pressure at 25 ºC is 193 Pa (EPI-Suite, MPBPVP v1.43)
Executive summary:

The estimated vapour pressure at 25 ºC is 193 Pa (EPI-Suite, MPBPVP v1.43)

Endpoint:
vapour pressure
Type of information:
experimental study
Remarks:
Data from a publication
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
study well documented, meets generally accepted scientific principles, acceptable for assessment
Remarks:
Data obtained from an acceptable standardized test method
Principles of method if other than guideline:
- Principle of test: Two independent experiments have been developed in this study. The first is a measurement of solubility, using a saturated aqueous solution. The second procedure involves stripping the solute by a gas stream and gives the
product γ∞P° (Activity Coefficient at Infinite Dilution γ∞ and Vapor Pressure P°). Results obtained by the two methods allow vapor pressure calculation.
- Short description of test conditions: Stripping experiments were performed in a Biostat MD (B.Braun Biotech International, Melsungen, Germany) bioreactor with a jacketed vessel of total volume 7.5 L (height 38 cm, diameter 16 cm) having an internal concave bottom section. It was fitted with a stirrer shaft with three six-blade impellers 4 cm in diameter. The temperature was regulated at (25 ( 0.1) °C by means of a PID controller, the input air flow at 0.3 standard volume of gas per volume of liquid and per min by a mass flow controller (Bronkhorst, Ruurlo, The Netherlands), and the stirring speed was 1000 rpm. The volume of aqueous solution was 3 L (height of standing liquid 15.5 cm) and a probe (dissolved oxygen) port was kept opened on the top plate. No condenser was used.
GLP compliance:
not specified
Type of method:
other: calculation (stripping procedure)
Key result
Temp.:
25 °C
Vapour pressure:
213 Pa
Remarks on result:
other: 95 % confidence limits: 184 – 242 Pa
Conclusions:
The vapour pressure of d-limonene was 213 Pa at 25 ºC (95 % confidence limits: 184 – 242 Pa)
Executive summary:

Determination of vapour pressure was achieved by previous calculation of water solubility using a saturated aqueous solution and the subsequent stripping procedure in an aerated stirred reactor. Based on results from these two experiments, the vapour pressure of d-limonene was calculated to be 213 Pa at 25 ºC (95 % confidence limits: 184 – 242 Pa).

Endpoint:
vapour pressure
Type of information:
experimental study
Adequacy of study:
weight of evidence
Study period:
1998
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
study well documented, meets generally accepted scientific principles, acceptable for assessment
Principles of method if other than guideline:
- Principle of test: Test substance was placed in small glass cup, suspended above water, set into a flask. After saturation, the gas samples were extracted with isooctane solution and analysed using GC. Vapor pressure was calculated from its gas-phase concentration, using the ideal gas equation.
GLP compliance:
not specified
Type of method:
other: flask method
Key result
Temp.:
23.5 °C
Vapour pressure:
202 Pa
Key result
Temp.:
6 °C
Vapour pressure:
18.4 Pa
Conclusions:
Under the test conditions, the experimental vapour pressure of d-limonene was 202 Pa (at 23.5 °C).
Executive summary:

A study was conducted to determine the vapour pressure of terpinolene performed by flask method. Test substance was placed in small glass cup, suspended above water, set into a shaking flask. After saturation, the gas samples were extracted with isooctane solution and analysed using GC. Vapor pressure was calculated from its gas-phase concentration, using the ideal gas equation. Under the test conditions, the experimental vapour pressure of d-limonene was 202 Pa (at 23.5 °C) and 18.4 Pa (at 6 °C).

Endpoint:
vapour pressure
Type of information:
experimental study
Adequacy of study:
weight of evidence
Study period:
1998
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
study well documented, meets generally accepted scientific principles, acceptable for assessment
Principles of method if other than guideline:
- Principle of test: Test substance was placed in small glass cup, suspended above water, set into a flask. After saturation, the gas samples were extracted with isooctane solution and analysed using GC. Vapor pressure was calculated from its gas-phase concentration, using the ideal gas equation.
GLP compliance:
not specified
Type of method:
other: flask method
Key result
Temp.:
23.5 °C
Vapour pressure:
99 Pa
Key result
Temp.:
6 °C
Vapour pressure:
5.97 Pa
Conclusions:
Under the test conditions, the experimental vapour pressure of terpinolene was 99 Pa (at 23.5 °C).
Executive summary:

A study was conducted to determine the vapour pressure of terpinolene performed by flask method. Test substance was placed in small glass cup, suspended above water, set into a shaking flask. After saturation, the gas samples were extracted with isooctane solution and analysed using GC. Vapor pressure was calculated from its gas-phase concentration, using the ideal gas equation. Under the test conditions, the experimental vapour pressure of terpinolene was 99 Pa (at 23.5 °C) and 5.97 Pa (at 6 °C).

Endpoint:
vapour pressure
Type of information:
other: Data from a publication
Adequacy of study:
weight of evidence
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
documentation insufficient for assessment
Remarks:
Only data reported without further details about testing method.
Principles of method if other than guideline:
No data on test method
GLP compliance:
not specified
Type of method:
other: no data
Key result
Temp.:
24 °C
Vapour pressure:
4.6 mm Hg
Remarks on result:
other: 4.6 mmHg = 613 Pa
Conclusions:
The vapour pressure of alpha pinene was 4.6 mmHg (613 Pa) at 24ºC.
Executive summary:

The reported vapour pressure of alpha pinene is 4.6 mmHg (613 Pa) at 24 °C. The reliability of this result is 4 (not assignable) because the procedure followed to measure the vapour pressure of the substance is not described in this publication.

Endpoint:
vapour pressure
Type of information:
experimental study
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
study well documented, meets generally accepted scientific principles, acceptable for assessment
Principles of method if other than guideline:
- Principle of test: The vapor pressure measurements were performed by a static method. The apparatus is similar to that of Marsh (Marsh K N, 1968), except for some experimental details which have been described previously (Pardo J, 1967 and Gracia M, 1992).
GLP compliance:
not specified
Type of method:
static method
Key result
Temp.:
293.15 K
Vapour pressure:
178 Pa
Key result
Temp.:
298.15 K
Vapour pressure:
253 Pa
Conclusions:
The vapour pressure of cienole is determined to be 178 Pa at 20ºC and 253 Pa at 25 °C.
Executive summary:

A study was conducted to determine the vapour pressure of cineole performed by static method. The apparatus used was similar to that described by Marsh (Marsh K N, 1968). Under the test conditions, the experimental vapour pressure of cieneole was determined to be 178 Pa at 20ºC and 253 Pa at 25 °C.

Endpoint:
vapour pressure
Type of information:
experimental study
Adequacy of study:
weight of evidence
Study period:
1998
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
study well documented, meets generally accepted scientific principles, acceptable for assessment
Principles of method if other than guideline:
- Principle of test: Test substance was placed in small glass cup, suspended above water, set into a flask. After saturation, the gas samples were extracted with isooctane solution and analysed using GC. Vapor pressure was calculated from its gas-phase concentration, using the ideal gas equation.
GLP compliance:
not specified
Type of method:
other: flask method
Key result
Temp.:
23.5 °C
Vapour pressure:
103 Pa
Key result
Temp.:
6 °C
Vapour pressure:
13.4 Pa
Conclusions:
Under the test conditions, the experimental vapour pressure of gamma terpinene was 103 Pa (at 23.5 °C).
Executive summary:

A study was conducted to determine the vapour pressure of gamma terpinene performed by flask method. Test substance was placed in small glass cup, suspended above water, set into a shaking flask. After saturation, the gas samples were extracted with isooctane solution and analysed using GC. Vapor pressure was calculated from its gas-phase concentration, using the ideal gas equation. Under the test conditions, the experimental vapour pressure of gamma terpinene was 103 Pa (at 23.5 °C) and 13.4 Pa (at 6 °C).

Endpoint:
vapour pressure
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:
Lyman, W.J.1985. In: Environmental Exposure From Chemicals. Volume I., Neely,W.B. and Blau,G.E. (eds), Boca Raton, FL: CRC Press, Inc., Chapter 2.
Lyman, W.J., Reehl, W.F. and Rosenblatt, D.H. 1990. Handbook of Chemical Property Estimation Methods. Washington, DC: American Chemical Society, Chapter 14.
Specific details on test material used for the study:
SMILES: CC(C)[C@]1(O)CCC(=CC1)C
Key result
Temp.:
25 °C
Vapour pressure:
5.7 Pa
Remarks on result:
other: QSAR predicted value

MPBPVP predicted that the test substance has a VP of 5.7 Pa.

Conclusions:
The estimated vapour pressure at 25 ºC is 5.7 Pa (EPI-Suite, MPBPVP v1.43)
Executive summary:

The estimated vapour pressure at 25 ºC is 5.7 Pa (EPI-Suite, MPBPVP v1.43)

Endpoint:
vapour pressure
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:
Lyman, W.J.1985. In: Environmental Exposure From Chemicals. Volume I., Neely,W.B. and Blau,G.E. (eds), Boca Raton, FL: CRC Press, Inc., Chapter 2.
Lyman, W.J., Reehl, W.F. and Rosenblatt, D.H. 1990. Handbook of Chemical Property Estimation Methods. Washington, DC: American Chemical Society, Chapter 14.
Specific details on test material used for the study:
SMILES: CC(C)C1(O)CCC(=CC1)C
Key result
Temp.:
25 °C
Vapour pressure:
5.7 Pa
Remarks on result:
other: QSAR predicted value

MPBPVP predicted that the test substance has a VP of 5.7 Pa.

Conclusions:
The estimated vapour pressure at 25 ºC is 5.7 Pa (EPI-Suite, MPBPVP v1.43)
Executive summary:

The estimated vapour pressure at 25 ºC is 5.7 Pa (EPI-Suite, MPBPVP v1.43)

Endpoint:
vapour pressure
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:
Lyman, W.J.1985. In: Environmental Exposure From Chemicals. Volume I., Neely,W.B. and Blau,G.E. (eds), Boca Raton, FL: CRC Press, Inc., Chapter 2.
Lyman, W.J., Reehl, W.F. and Rosenblatt, D.H. 1990. Handbook of Chemical Property Estimation Methods. Washington, DC: American Chemical Society, Chapter 14.
Specific details on test material used for the study:
SMILES: CC(C)C1=CCC(C)(O)CC1
Key result
Temp.:
25 °C
Vapour pressure:
4.79 Pa
Remarks on result:
other: QSAR predicted value

MPBPVP predicted that the test substance has a VP of 4.79 Pa.

Conclusions:
The estimated vapour pressure at 25 ºC is 4.79 Pa (EPI-Suite, MPBPVP v1.43)
Executive summary:

The estimated vapour pressure at 25 ºC is 4.79 Pa (EPI-Suite, MPBPVP v1.43)

Endpoint:
vapour pressure
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:
Lyman, W.J.1985. In: Environmental Exposure From Chemicals. Volume I., Neely,W.B. and Blau,G.E. (eds), Boca Raton, FL: CRC Press, Inc., Chapter 2.
Lyman, W.J., Reehl, W.F. and Rosenblatt, D.H. 1990. Handbook of Chemical Property Estimation Methods. Washington, DC: American Chemical Society, Chapter 14.
Specific details on test material used for the study:
SMILES: CC(=C)[C@H]1CC[C@@](CC1)(O)C
Key result
Temp.:
25 °C
Vapour pressure:
4.16 Pa
Remarks on result:
other: QSAR predicted value

MPBPVP predicted that the test substance has a VP of 4.16 Pa.

Conclusions:
The estimated vapour pressure at 25 ºC is 4.16 Pa (EPI-Suite, MPBPVP v1.43)
Executive summary:

The estimated vapour pressure at 25 ºC is 4.16 Pa (EPI-Suite, MPBPVP v1.43)

Endpoint:
vapour pressure
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:
Lyman, W.J.1985. In: Environmental Exposure From Chemicals. Volume I., Neely,W.B. and Blau,G.E. (eds), Boca Raton, FL: CRC Press, Inc., Chapter 2.
Lyman, W.J., Reehl, W.F. and Rosenblatt, D.H. 1990. Handbook of Chemical Property Estimation Methods. Washington, DC: American Chemical Society, Chapter 14.
Specific details on test material used for the study:
SMILES: CC(=C)[C@H]1CC[C@](CC1)(O)C
Key result
Temp.:
25 °C
Vapour pressure:
4.16 Pa
Remarks on result:
other: QSAR predicted value

MPBPVP predicted that the test substance has a VP of 4.16 Pa.

Conclusions:
The estimated vapour pressure at 25 ºC is 4.16 Pa (EPI-Suite, MPBPVP v1.43)
Executive summary:

The estimated vapour pressure at 25 ºC is 4.16 Pa (EPI-Suite, MPBPVP v1.43)

Endpoint:
vapour pressure
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:
Lyman, W.J.1985. In: Environmental Exposure From Chemicals. Volume I., Neely,W.B. and Blau,G.E. (eds), Boca Raton, FL: CRC Press, Inc., Chapter 2.
Lyman, W.J., Reehl, W.F. and Rosenblatt, D.H. 1990. Handbook of Chemical Property Estimation Methods. Washington, DC: American Chemical Society, Chapter 14.
Specific details on test material used for the study:
SMILES: CC(C)C12CC1C(C)C=C2
Key result
Temp.:
25 °C
Vapour pressure:
898 Pa
Remarks on result:
other: QSAR predicted value

MPBPVP predicted that the test substance has a VP of 898 Pa.

Conclusions:
The estimated vapour pressure at 25 ºC is 981 Pa (EPI-Suite, MPBPVP v1.43)
Executive summary:

The estimated vapour pressure at 25 ºC is 898 Pa (EPI-Suite, MPBPVP v1.43)

Endpoint:
vapour pressure
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:
Lyman, W.J.1985. In: Environmental Exposure From Chemicals. Volume I., Neely,W.B. and Blau,G.E. (eds), Boca Raton, FL: CRC Press, Inc., Chapter 2.
Lyman, W.J., Reehl, W.F. and Rosenblatt, D.H. 1990. Handbook of Chemical Property Estimation Methods. Washington, DC: American Chemical Society, Chapter 14.
Specific details on test material used for the study:
SMILES: C[C@@]12CC[C@@H](C1)C(C)(C)[C@H]2O
Key result
Temp.:
25 °C
Vapour pressure:
23 Pa
Remarks on result:
other: QSAR predicted value

MPBPVP predicted that the test substance has a VP of 23 Pa.

Conclusions:
The estimated vapour pressure at 25 ºC is 23 Pa (EPI-Suite, MPBPVP v1.43)
Executive summary:

The estimated vapour pressure at 25 ºC is 23 Pa (EPI-Suite, MPBPVP v1.43)

Endpoint:
vapour pressure
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:
Lyman, W.J.1985. In: Environmental Exposure From Chemicals. Volume I., Neely,W.B. and Blau,G.E. (eds), Boca Raton, FL: CRC Press, Inc., Chapter 2.
Lyman, W.J., Reehl, W.F. and Rosenblatt, D.H. 1990. Handbook of Chemical Property Estimation Methods. Washington, DC: American Chemical Society, Chapter 14.
Specific details on test material used for the study:
SMILES: CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](O)C2
Key result
Temp.:
25 °C
Vapour pressure:
0.057 Pa
Remarks on result:
other: QSAR predicted value

MPBPVP predicted that the test substance has a VP of 0.0572 Pa.

Conclusions:
The estimated vapour pressure at 25 ºC is 0.0572 Pa (EPI-Suite, MPBPVP v1.43)
Executive summary:

The estimated vapour pressure at 25 ºC is 0.0572 Pa (EPI-Suite, MPBPVP v1.43)

Endpoint:
vapour pressure
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:
Lyman, W.J.1985. In: Environmental Exposure From Chemicals. Volume I., Neely,W.B. and Blau,G.E. (eds), Boca Raton, FL: CRC Press, Inc., Chapter 2.
Lyman, W.J., Reehl, W.F. and Rosenblatt, D.H. 1990. Handbook of Chemical Property Estimation Methods. Washington, DC: American Chemical Society, Chapter 14.
Specific details on test material used for the study:
SMILES: COc1ccc(CC=C)cc1
Key result
Temp.:
25 °C
Vapour pressure:
22 Pa
Remarks on result:
other: QSAR predicted value

MPBPVP predicted that the test substance has a VP of 22 Pa.

Conclusions:
The estimated vapour pressure at 25 ºC is 22 Pa (EPI-Suite, MPBPVP v1.43)
Executive summary:

The estimated vapour pressure at 25 ºC is 22 Pa (EPI-Suite, MPBPVP v1.43)

Endpoint:
vapour pressure
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:
Lyman, W.J.1985. In: Environmental Exposure From Chemicals. Volume I., Neely,W.B. and Blau,G.E. (eds), Boca Raton, FL: CRC Press, Inc., Chapter 2.
Lyman, W.J., Reehl, W.F. and Rosenblatt, D.H. 1990. Handbook of Chemical Property Estimation Methods. Washington, DC: American Chemical Society, Chapter 14.
Specific details on test material used for the study:
SMILES: CC(=C1CCC(C)(O)CC1)C
Key result
Temp.:
25 °C
Vapour pressure:
2.92 Pa
Remarks on result:
other: QSAR predicted value

MPBPVP predicted that the test substance has a VP of 2.92 Pa.

Conclusions:
The estimated vapour pressure at 25 ºC is 2.92 Pa (EPI-Suite, MPBPVP v1.43)
Executive summary:

The estimated vapour pressure at 25 ºC is 2.92 Pa (EPI-Suite, MPBPVP v1.43)

Endpoint:
vapour pressure
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:
Lyman, W.J.1985. In: Environmental Exposure From Chemicals. Volume I., Neely,W.B. and Blau,G.E. (eds), Boca Raton, FL: CRC Press, Inc., Chapter 2.
Lyman, W.J., Reehl, W.F. and Rosenblatt, D.H. 1990. Handbook of Chemical Property Estimation Methods. Washington, DC: American Chemical Society, Chapter 14.
Specific details on test material used for the study:
SMILES: CC(C)C12CCC(C)(CC1)O2
Key result
Temp.:
25 °C
Vapour pressure:
238 Pa
Remarks on result:
other: QSAR predicted value

MPBPVP predicted that the test substance has a VP of 238 Pa.

Conclusions:
The estimated vapour pressure at 25 ºC is 238 Pa (EPI-Suite, MPBPVP v1.43)
Executive summary:

The estimated vapour pressure at 25 ºC is 238 Pa (EPI-Suite, MPBPVP v1.43)

Endpoint:
vapour pressure
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:
Lyman, W.J.1985. In: Environmental Exposure From Chemicals. Volume I., Neely,W.B. and Blau,G.E. (eds), Boca Raton, FL: CRC Press, Inc., Chapter 2.
Lyman, W.J., Reehl, W.F. and Rosenblatt, D.H. 1990. Handbook of Chemical Property Estimation Methods. Washington, DC: American Chemical Society, Chapter 14.
Specific details on test material used for the study:
SMILES: C=C1C(C2)C2(C(C)C)CC1
Key result
Temp.:
25 °C
Vapour pressure:
981 Pa
Remarks on result:
other: QSAR predicted value

MPBPVP predicted that the test substance has a VP of 981 Pa.

Conclusions:
The estimated vapour pressure at 25 ºC is 981 Pa (EPI-Suite, MPBPVP v1.43)
Executive summary:

The estimated vapour pressure at 25 ºC is 981 Pa (EPI-Suite, MPBPVP v1.43)

Endpoint:
vapour pressure
Type of information:
experimental study
Adequacy of study:
weight of evidence
Study period:
1998
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
study well documented, meets generally accepted scientific principles, acceptable for assessment
Principles of method if other than guideline:
- Principle of test: Test substance was placed in small glass cup, suspended above water, set into a flask. After saturation, the gas samples were extracted with isooctane solution and analysed using GC. Vapor pressure was calculated from its gas-phase concentration, using the ideal gas equation.
GLP compliance:
not specified
Type of method:
other: flask method
Key result
Temp.:
23.5 °C
Vapour pressure:
5.69 Pa
Key result
Temp.:
6 °C
Vapour pressure:
0.862 Pa
Conclusions:
Under the test conditions, the experimental vapour pressure of alpha terpineol was 5.69 Pa (at 23.5 °C).
Executive summary:

A study was conducted to determine the vapour pressure of alpha terpineol performed by flask method. Test substance was placed in small glass cup, suspended above water, set into a shaking flask. After saturation, the gas samples were extracted with isooctane solution and analysed using GC. Vapor pressure was calculated from its gas-phase concentration, using the ideal gas equation. Under the test conditions, the experimental vapour pressure of alpha terpineol was 5.69 Pa (at 23.5 °C) and 0.862 Pa (at 6 °C).

Endpoint:
vapour pressure
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Qualifier:
no guideline followed
Principles of method if other than guideline:
- Principle of test: The Kistiakowsky Linear equation was used to predict the vapour pressure of the test substance from experimental data from different articles.
GLP compliance:
no
Type of method:
other: calculation method
Key result
Temp.:
25 °C
Vapour pressure:
0.002 atm
Remarks on result:
other: 207.7 Pa
Conclusions:
The predicted vapour pressure for the test substance is 207.7 Pa
Executive summary:

The predicted vapour pressure for the test substance using the Kistiakowsky Linear equation was 0.00205 atm at 25ºC (207.7 Pa).

Description of key information

Weight of evidence: Individual vapour pressures of the main components are available from experimental tests, peer reviewed handbooks and EpiSuite calculation. The vapour pressure of the test substance has been determined to be the highest of the major components (>1%), i.e. 613 Pa.

Key value for chemical safety assessment

Vapour pressure:
613 Pa
at the temperature of:
25 °C

Additional information

Weight of evidence: Individual vapour pressures of the main components are available from experimental tests, peer reviewed handbooks and EpiSuite calculation:

Alpha terpineol: Experimental test (Li J, 1998). The vapour pressure is 5.69 Pa (at 23.5 ºC).

Terpinolene: Experimental test (Li J, 1998). The vapour pressure is 99 Pa (at 23.5 ºC).

Cineole: Experimental test (Gimeno B, 2012). The vapour pressure is 253 Pa (at 25 ºC).

L-Limonene: EPI-Suite, MPBPVP v.1.43. The vapour pressure is 193 Pa (at 25 ºC).

D-Limonene: Experimental test (Fichan I, 1999). The vapour pressure is 213 Pa (at 25 ºC).

D-Limonene: Experimental test (Li J, 1998). The vapour pressure is 202 Pa (at 23.5 ºC).

Camphene: Daubert Handbook peer reviewed. The vapour pressure is 335 Pa (at 25 ºC).

Camphene: EPI-Suite, MPBPVP v.1.43. The vapour pressure is 237 Pa (at 25 ºC).

Alpha terpinene: EPI-Suite, MPBPVP v.1.43. The vapour pressure is 222 Pa (at 25 ºC).

Gamma terpinene: Experimental test (Li J, 1998). The vapour pressure is 103 Pa (at 23.5 ºC).

Alpha pinene: Experimental test (Simon V, 1995). The vapour pressure is 613 Pa (at 24 ºC).

Paracymene: accepted calculation method (Mackay D, 1982). The vapour pressure is 207.7 Pa (at 25 ºC).

3 -terpinen-1 -ol: EPI-Suite, MPBPWIN v1.43. The vapour pressure is 4.79 Pa (at 25ºC).

Gamma terpineol: EPI-Suite, MPBPWIN v1.43. The vapour pressure is 2.92 Pa (at 25ºC).

+/-terpinen-4 -ol: EPI-Suite, MPBPWIN v1.43. The vapour pressure is 5.7 Pa (at 25ºC).

Isocineole: EPI-Suite, MPBPWIN v1.43. The vapour pressure is 238 Pa (at 25ºC).

Beta fenchol: EPI-Suite, MPBPWIN v1.43. The vapour pressure is 23 Pa (at 25ºC).

cis/trans beta terpineol: EPI-Suite, MPBPWIN v1.43. The vapour pressure is 4.16 Pa (at 25ºC).

Beta thujene: EPI-Suite, MPBPWIN v1.43. The vapour pressure is 898 Pa (at 25ºC).

Sabinene: EPI-Suite, MPBPWIN v1.43. The vapour pressure is 981 Pa (at 25ºC).

Estragole: EPI-Suite, MPBPWIN v1.43. The vapour pressure is 22 Pa (at 25ºC).

Borneol: EPI-Suite, MPBPWIN v1.43. The vapour pressure is 0.0572 Pa (at 25ºC).

Based on the composition of the substance and a weight of evidence approach, the vapour pressure is determined to be 613 Pa (highest value of the components with typ. concentration higher than 1% w/w).