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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:
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

Reference
Name:
Unnamed
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.