Reaction mass of 7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane and (1R)-2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane and (1S)-2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane and (1S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene

Vapour pressure

Link to relevant study record(s)

Reference

Reference 1

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.

Reference 2

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:

529 Pa

Remarks on result:

other: 95 % confidence limits: 456 – 602 Pa

Conclusions:

The vapour pressure of L-alpha pinene was 529 Pa at 25 ºC (95 % confidence limits: 456 – 602 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 L-alpha pinene was calculated to be 529 Pa at 25 ºC (95 % confidence limits: 456 – 602 Pa).

Reference 3

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.

Reference 4

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 D-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)

Reference 5

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(CC1C2)C(C2=C)C1(C)C

Key result

Temp.:

25 °C

Vapour pressure:

661 Pa

Remarks on result:

other: QSAR predicted value

MPBPVP predicted that fenchene has a VP of 661 Pa.

Conclusions:

The estimated vapour pressure at 25 ºC is 661 Pa (EPI-Suite, MPBPVP v1.43)

Executive summary:

The estimated vapour pressure at 25 ºC is 661 Pa (EPI-Suite, MPBPVP v1.43)

Reference 6

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)C1(C)C)(=C2)C

Key result

Temp.:

25 °C

Vapour pressure:

536 Pa

Remarks on result:

other: QSAR predicted value

MPBPVP predicted that L-alpha pinene has a VP of 536 Pa.

Conclusions:

The estimated vapour pressure at 25 ºC is 536 Pa (EPI-Suite, MPBPVP v1.43)

Executive summary:

The estimated vapour pressure at 25 ºC is 536 Pa (EPI-Suite, MPBPVP v1.43)

Reference 7

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 L-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)

Description of key information

Weight of evidence. Camphene. Data from peer review publication. The vapour pressure of camphene has been determined to be 335 Pa at 25 ºC.

Weight of evidence. L-alpha pinene. Data from peer review publication. The vapour pressure of L-alpha pinene is 529 Pa at 25 ºC.

Weight of evidence. Alpha pinene. Data from a publication. The vapour pressure of alpha pinene is 4.6 mmHg (613 Pa) at 24ºC.

Weight of evidence. L-Camphene. EPI-Suite, MPBPWIN v1.43. The vapour pressure of L-camphene is 237 Pa at 25 ºC.

Weight of evidence. D-Camphene. EPI-Suite, MPBPWIN v1.43. The vapour pressure of D-camphene is 237 Pa at 25 ºC.

Weight of evidence. Fenchene. EPI-Suite, MPBPWIN v1.43. The vapour pressure of fenchene is 661 Pa at 25 ºC .

Weight of evidence. L-alpha pinene. EPI-Suite, MPBPWIN v1.43. The vapour pressure of L-alpha pinene is 536 Pa at 25 ºC.

Weight of evidence. Test substance (reaction mass). Based on reported data, the vapour pressure for each main component has been established as follows: 335 Pa for l-camphene and d-camphene based on the experimental value of camphene as a conservative approach, 529 Pa for l-alpha pinene (experimental value) and 661 Pa for fenchene (estimated value). The total vapour pressure of the test substance has been calculated as a first step by the Raoult's law to determine the partial vapour pressure of each component and then, by the Dalton's law to calculate the total pressure as the sum of partial pressures of the main constituents. The vapour pressure of the test item was determined to be 408 Pa at 25ºC.

Key value for chemical safety assessment

Vapour pressure:

408 Pa

at the temperature of:

25 °C

Additional information

Weight of evidence. Camphene. Data from peer review publication. The vapour pressure of camphene has been determined to be 335 Pa at 25 ºC.

Weight of evidence. L-alpha pinene. Data from peer review publication. The vapour pressure of L-alpha pinene was calculated by an acceptable standardized test method and it was determined to be 529 Pa at 25 ºC (95 % confidence limits: 456 – 602 Pa)

Weight of evidence. Alpha pinene. Data from a publication. The vapour pressure of alpha pinene obtained from a non reliable publication (documentation insufficient for assessment) is 613 Pa at 24 °C.

Weight of evidence. L-Camphene. EPI-Suite, MPBPWIN v1.43. The estimated vapour pressure of L-camphene calculated by EPI-Suite, MPBPWIN v1.43, is 237 Pa at 25 ºC

Weight of evidence. D-Camphene. EPI-Suite, MPBPWIN v1.43. The estimated vapour pressure of D-camphene calculated by EPI-Suite, MPBPWIN v1.43, is 237 Pa at 25 ºC

Weight of evidence. Fenchene. EPI-Suite, MPBPWIN v1.43. The estimated vapour pressure of fenchene is 661 Pa at 25 ºC

Weight of evidence. L-alpha pinene. EPI-Suite, MPBPWIN v1.43. The estimated vapour pressure of L-alpha pinene calculated by EPI-Suite, MPBPWIN v1.43, is 536 Pa at 25 ºC

Weight of evidence. Test substance (reaction mass). Based on reported data, the vapour pressure for each main component has been established as follows: 335 Pa for l-camphene and d-camphene based on the experimental value of camphene as a conservative approach, 529 Pa for l-alpha pinene (experimental value) and 661 Pa for fenchene (estimated value). The total vapour pressure of the test substance has been calculated as a first step by the Raoult's law to determine the partial vapour pressure of each component and then by the Dalton's law to calculate the total pressure as the sum of partial pressures of the main constituents. The vapour pressure of the test item calculated as specified before was determined to be 408 Pa at 25ºC.