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Vapour pressure

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Endpoint:
vapour pressure
Type of information:
(Q)SAR
Remarks:
EPI
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 limited documentation / justification
Justification for type of information:
Data comes from an online compilation using QSAR model. There is no experimental study reference, however data provide from validated model.
No study was conducted on the oil iself, as not relevant for an UVCB. Literature provided data for the five major components representing about 80%. Alpha thuyone content of the UVCB is about 53%
Qualifier:
according to
Guideline:
other: EPI suite
Version / remarks:
v4.11
Principles of method if other than guideline:
QSAR method
Test no.:
#1
Temp.:
25 °C
Vapour pressure:
0.449 mm Hg
Conclusions:
Vapour pressure of alpha thuyone which is present at a concentration of about 53% (typical value) is 0.449 mmHg at 25°C.
Endpoint:
vapour pressure
Type of information:
(Q)SAR
Remarks:
EPI
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 limited documentation / justification
Justification for type of information:
Data comes from an online compilation using QSAR model. There is no experimental study reference, however data provide from validated model.
No study was conducted on the oil iself, as not relevant for an UVCB. Literature provided data for the five major components representing about 80%. Beta thuyone content of the UVCB is about 7%
Qualifier:
according to
Guideline:
other: EPI suite
Version / remarks:
v4.11
Principles of method if other than guideline:
QSAR model
Test no.:
#1
Temp.:
25 °C
Vapour pressure:
0.449 mm Hg
Conclusions:
Vapour pressure of beta thuyone which is present at a concentration of about 7% (typical value) is 0.449 mmHg at 25°C.
Endpoint:
vapour pressure
Type of information:
(Q)SAR
Remarks:
EPI
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 limited documentation / justification
Justification for type of information:
Data comes from an online compilation using QSAR model. There is no experimental study reference, however data provide from validated model.
No study was conducted on the oil iself, as not relevant for an UVCB. Literature provided data for the five major components representing about 80%. Fenchone content of the UVCB is about 12%
Qualifier:
according to
Guideline:
other: EPI suite
Version / remarks:
4.11
Principles of method if other than guideline:
QSAR model
Test no.:
#1
Temp.:
25 °C
Vapour pressure:
0.721 mm Hg
Conclusions:
Vapour pressure of fenchone which is present at a concentration of about 12% (typical value) is 0.721 mmHg at 25°C.
Endpoint:
vapour pressure
Type of information:
other: bibliography
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Justification for type of information:
Data comes from an grey literrature. There is no experimental study reference, however data provide from peer review data.
No study was conducted on the oil iself, as not relevant for an UVCB. Literature provided data for the five major components representing about 80%. Limonene content of the UVCB is about 3%
Qualifier:
according to
Guideline:
other: [Yaws CL; Handbook of Vapor Pressure. Vol 3: C8-C28 Compounds. Houston,TX: Gulf Pub Co (1994)] **PEER REVIEWED**
Principles of method if other than guideline:
[Yaws CL; Handbook of Vapor Pressure. Vol 3: C8-C28 Compounds. Houston,TX: Gulf Pub Co (1994)] **PEER REVIEWED**
Test no.:
#1
Temp.:
25 °C
Vapour pressure:
1.98 mm Hg
Conclusions:
Vapour pressure of limonene which is present at a concentration of about 3% (typical value) is 1.98 mmHg at 25°C.
Endpoint:
vapour pressure
Type of information:
(Q)SAR
Remarks:
EPI
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 limited documentation / justification
Justification for type of information:
Data comes from an online compilation using QSAR model. There is no experimental study reference, however data provide from validated model.
No study was conducted on the oil iself, as not relevant for an UVCB. Literature provided data for the five major components representing about 80%. Sabinene content of the UVCB is about 5%
Qualifier:
according to
Guideline:
other: EPI suite
Version / remarks:
4.11
Principles of method if other than guideline:
EPI suite, QSAR aprroach
Test no.:
#1
Temp.:
25 °C
Vapour pressure:
7.36 mm Hg
Conclusions:
Vapour pressure of sabinene which is present at a concentration of about 5% (typical value) is 7.36 mmHg at 25°C.

Description of key information

Literature provided data for the 5 major components representing about 80% of the UVCB :

Constituent names  CAS nr vapour pressure at 25°C source
thuyone alpha (at 53%)  546 -80 -5 0.449 mm Hg EPI suite v4.11
fenchone (at 12%)  1195 -79 -5 0.721 mm Hg EPI suite v4.11
sabinene (at 5%) 3387-41-5 7.36 mm Hg EPI suite v4.11
thuyone beta (at 7%)  471-15 -8 0.449 mm Hg EPI suite v4.11
limonene dextro (at 3%)  5989 -27 -5 1.98 mm Hg  HSDB (toxnet)

Key value for chemical safety assessment

Additional information

No study was conducted on the oil iself, as not relevant for an UVCB.

The vapour pressure at 25°C of the test item is estimated between 0.449 mmHg and 7.36 mmHg.

As no CSA is required for the tonnage band of concern, no key value was retained.


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