Registration Dossier
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EC number: 249-510-7 | CAS number: 29210-76-2
Vapour pressure
Administrative data
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- other information
- Study period:
- Completed on 11 January, 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 adequate and reliable documentation / justification
- Justification for type of information:
- SOFTWARE USED
MPBPWIN v1.43 module of the US Environmental Protection Agency EPI Suite 4.1 was used to calculate the vapour pressure of Hydroxy DHLL (CAS-No. 29210-76-2).
This software uses the Antoine method, the Modified Grain method and the Mackay method to calculate the vapour pressure.
The software automatically selects the best applicable method(s), the Modified Grain method in the present case.
For further details see the attached QSAR report.
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test material
- Reference substance name:
- 2,6-dimethyloct-7-yne-2,6-diol
- EC Number:
- 249-510-7
- EC Name:
- 2,6-dimethyloct-7-yne-2,6-diol
- Cas Number:
- 29210-76-2
- Molecular formula:
- C10H18O2
- IUPAC Name:
- 2,6-dimethyloct-7-yne-2,6-diol
- Reference substance name:
- 3,7-dimethyloct-6-en-1-yn-3-ol
- EC Number:
- 249-482-6
- EC Name:
- 3,7-dimethyloct-6-en-1-yn-3-ol
- Cas Number:
- 29171-20-8
- Molecular formula:
- C10H16O
- IUPAC Name:
- 3,7-dimethyloct-6-en-1-yn-3-ol
- Reference substance name:
- 7-methoxy-3,7-dimethyloct-1-yn-3-ol
- Cas Number:
- 1878-98-4
- Molecular formula:
- C11H20O2
- IUPAC Name:
- 7-methoxy-3,7-dimethyloct-1-yn-3-ol
- Test material form:
- liquid: viscous
Constituent 1
impurity 1
impurity 2
Results and discussion
Vapour pressureopen allclose all
- Key result
- Test no.:
- #1
- Temp.:
- 20 °C
- Vapour pressure:
- 0.08 Pa
- Test no.:
- #2
- Temp.:
- 25 °C
- Vapour pressure:
- 0.158 Pa
- Test no.:
- #3
- Temp.:
- 50 °C
- Vapour pressure:
- 3.23 Pa
Applicant's summary and conclusion
- Conclusions:
- The vapour pressure of the test material Hydroxy DHLL was determined to be 0.0803 Pa at 20 °C, 0.158 Pa at 25 °C and 3.23 Pa at 50 °C using QSAR.
- Executive summary:
The vapour pressure of the test material Hydroxy DHLL was determined to be 0.0803 Pa at 20 °C, 0.158 Pa at 25 °C and 3.23 Pa at 50 °C using a QSAR method.
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