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Diss Factsheets

Administrative data

Endpoint:
vapour pressure
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
June 2017
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:
Results derived from a valid QSAR model

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2017
Report date:
2017

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: EPI Suite Antoine method
Deviations:
no
Principles of method if other than guideline:
The MPBPWIN v1.43 module of the US Environmental Protection Agency EPI Suite 4.1 was used to calculate the vapour pressure of Toppynol. This software uses the Antoine method, the Modified Grain method and the Mackay method to calculate the vapour pressure.
GLP compliance:
not specified
Type of method:
other: QSAR

Test material

Constituent 1
Chemical structure
Reference substance name:
3,5-dimethylhex-3-en-2-ol
EC Number:
614-095-7
Cas Number:
676532-41-5
Molecular formula:
C8H16O
IUPAC Name:
3,5-dimethylhex-3-en-2-ol
Test material form:
liquid

Results and discussion

Vapour pressureopen allclose all
Key result
Test no.:
#1
Temp.:
20 °C
Vapour pressure:
37.9 Pa
Key result
Test no.:
#2
Temp.:
25 °C
Vapour pressure:
57.9 Pa

Applicant's summary and conclusion

Executive summary:

Vapour pressure of Secodemol (20oC) = 37.9 Pa (mean of Antoine and Grain methods);

Vapour pressure of Secodemol (25oC) = 57.9 Pa (mean of Antoine and Grain methods).