Registration Dossier

Administrative data

Endpoint:
melting point/freezing point
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
21 Jul 2017
Reliability:
2 (reliable with restrictions)
Justification for type of information:
1. SOFTWARE - MPBPVP

2. MODEL (incl. version number)- 1.43

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL - CCCCN(CCO(N(=O)=O))N(=O)(=O)

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
[Explain how the model fulfils the OECD principles for (Q)SAR model validation. Consider attaching the QMRF or providing a link]
- Defined endpoint: MP
- Unambiguous algorithm: Not applicable- Uses a combination of techniques

6. ADEQUACY OF THE RESULT
MPBPVP is an accepted tool used for predicting phys/chem endpoints

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2016
Report Date:
2016

Materials and methods

Principles of method if other than guideline:
Episuite prediction - MPBPVP (v1.43)

Test material

Reference
Name:
Unnamed
Type:
Constituent

Results and discussion

Melting / freezing point
Melting / freezing pt.:
-27 °C
Remarks on result:
other: QSAR prediction

Any other information on results incl. tables

EPI Suite prediction- MP -27oC

Applicant's summary and conclusion

Conclusions:
Episuite prediction is -27oC