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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Physical & Chemical properties

Vapour pressure

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Administrative data

Endpoint:
vapour pressure
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Study period:
2018-10-12
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:
For a detailed justification please refer to the attached justification

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2018
Report date:
2018

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: Reach Guidance on QSARs R.6
Principles of method if other than guideline:
QSAR estimation using ACD PERCEPTA software, Release 2017.2 (build 2977). Identifier used for input for the estimation are SMILES and CAS No.
GLP compliance:
no

Test material

1
Reference substance name:
Ceramide VI
IUPAC Name:
Ceramide VI
Details on test material:
SMILES: O[C@@H]([C@@H](O)[C@@H](NC(C(CCCCCCCCCCCCCCCC)O)=O)CO)CCCCCCCCCCCCCC
Specific details on test material used for the study:
used for calculation:
SMILES: OC(CCCCCCCCCCCCCCCC)C(NC(CO)C(O)C(O)CCCCCCCCCCCCCC)=O

Results and discussion

Vapour pressure
Key result
Temp.:
20 °C
Vapour pressure:
< 0.1 Pa
Remarks on result:
other: QSAR predicted value

Applicant's summary and conclusion

Conclusions:
QSAR with ACD PERCEPTA software, Release 2017.2 (build 2977) predicts a vapour pressure of < 0.1 Pa at 20 °C.