Registration Dossier
Registration Dossier
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EC number: 202-795-1 | CAS number: 99-86-5
Vapour pressure
Administrative data
Link to relevant study record(s)
- 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
- 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).
Reference
The mean vapour pressure of the test substance (mean 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
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.
