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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
key study
Study period:
06/12/2017-20/12/2017
Reliability:
1 (reliable without restriction)
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

Data source

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

Materials and methods

Test guideline
Guideline:
other: REACH Guidance on QSARs R.6 (following OCDE 104)
GLP compliance:
not specified
Other quality assurance:
other: Not applicable
Type of method:
other: Not applicable

Test material

Constituent 1
Chemical structure
Reference substance name:
Undecenoic acid
EC Number:
215-583-9
EC Name:
Undecenoic acid
Cas Number:
1333-28-4
Molecular formula:
C11H20O2
IUPAC Name:
undec-2-enoic acid
Specific details on test material used for the study:
SMILE : C=CCCCCCCCCC(=O)[O-].[Na+]

Results and discussion

Vapour pressure
Key result
Test no.:
#1
Temp.:
ca. 25 °C
Vapour pressure:
ca. 0.078 Pa
Remarks on result:
other: QSAR predicted value
Vapour pressure at 50°C (if relevant for classification of gas under pressure)
Remarks on result:
not measured/tested
Transition / decomposition
Remarks on result:
not measured/tested

Any other information on results incl. tables

95% confidence limits (Pa) : 0.0530 – 0.115

Applicant's summary and conclusion

Executive summary:

The vapour pressure value anticipated following a vapour pressure study according to OECD guideline 104 is 0.0781 Pa at 25°C.