Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
vapour pressure
Type of information:
(Q)SAR
Adequacy of study:
other information
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

Data source

Reference
Reference Type:
other: (Q)SAR
Title:
EPI Suite v4.11
Author:
U.S. Environmental Protection Agency
Year:
2018
Bibliographic source:
https://www.epa.gov/tsca-screening-tools/download-epi-suitetm-estimation-program-interface-v411

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: REACH guidance on QSAR R.6
Principles of method if other than guideline:
QSAR estimation using Antoine and modified Grain methods.
GLP compliance:
no
Type of method:
other: QSAR calculation

Test material

Specific details on test material used for the study:
SMILES: O=C(OC)C=CC

Results and discussion

Vapour pressure
Temp.:
25 °C
Vapour pressure:
ca. 22.8 hPa

Applicant's summary and conclusion

Conclusions:
By QSAR estimation the vapour pressure of the test substance has been determined to be ca. 22.8 hPa at 25°C.