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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:
2018
Report date:
2018

Materials and methods

Test material

Constituent 1
Chemical structure
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
impurity 1
Chemical structure
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
impurity 2
Chemical structure
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

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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