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Physical & Chemical properties

Vapour pressure

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Reference
Endpoint:
vapour pressure
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
March 2018
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:
A QSAR was performed to estimate a theoretical vapour pressure value for a specific test chemical, a SMILES notation was configured. This was achieved by using the test chemical's structural chemical formula.
The test material information and consequent estimated theoretical vapour pressure was calculated using the individual SMILES notation:C(=CC=C(C1)C)(C1)C(C)C in the EPISuite(TM) 4.11 software (MPBPVP v1.43)
Qualifier:
no guideline required
Principles of method if other than guideline:
A QSAR calculation was used in the EPISuite(TM) 4.11 software (MPBPVP v1.43)
GLP compliance:
not specified
Type of method:
other: QSAR - MPBPVP v1.43
Key result
Test no.:
#1
Temp.:
25 °C
Vapour pressure:
1.81 mm Hg
Remarks on result:
other: Antonie Method
Key result
Test no.:
#2
Temp.:
25 °C
Vapour pressure:
1.52 mm Hg
Remarks on result:
other: Modified Grain Method
Key result
Test no.:
#3
Temp.:
25 °C
Vapour pressure:
1.72 mm Hg
Remarks on result:
other: Mackay Method

The mean vapour pressure of the test substance (mean of Antonie and Grain methods) is 1.66 mm Hg (222 Pa).

Conclusions:
The mean vapour pressure of alpha-terpinene (mean value of Antonie and Grain methods) is 1.66 mm Hg (222 Pa).
Executive summary:

The vapour pressure of was estimated using a validated QSAR (MPBPVP v1.43 in the EPISuite(TM) 4.11 software). The mean vapour pressure of alpha-terpinene (mean value of Antonie and Grain methods) is 1.66 mm Hg (222 Pa).

Description of key information

Key study. EPI-Suite, MPBPVP v1.43. The mean vapour pressure of alpha-terpinene (mean value of Antonie and Grain methods) is 1.66 mm Hg (222 Pa).


Key value for chemical safety assessment

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

Additional information