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Physical & Chemical properties

Melting point / freezing point

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Reference
Endpoint:
melting point/freezing point
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
other: Data is from modelling database
Justification for type of information:
Data is from modelling database developed by US-EPA
Qualifier:
according to
Guideline:
other: as mentioned below
Principles of method if other than guideline:
OPERA V1.02 (OPEn (quantitative) structure-activity Relationship Application)model was used to predict the melting point of test chemical.
GLP compliance:
not specified
Type of method:
other: Estimated data from modelling database
Specific details on test material used for the study:
- Name of test material (as cited in study report): 2-hydroxypropyl octadec-9-enoate
- Molecular formula: C21H40O3
- Molecular weight : 340.544 g/mol
- Smiles notation : C(CC(OC[C@@H](C)O)=O)CCCCC\C=C\CCCCCCCC
- InChl : 1S/C21H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)24-19-20(2)22/h10-11,20,22H,3-9,12-19H2,1-2H3/b11-10+
- Substance type:Organic
- Physical state:Liquid
Key result
Melting / freezing pt.:
19.2 °C
Remarks on result:
other: estimated value
Conclusions:
Based on prediction done from modelling database CompTox Chemistry Dashboard,the melting point of 2-hydroxypropyl octadec-9-enoate was estimated to be 19.2 degree C
Executive summary:

Based on prediction done from CompTox Chemistry Dashboard which uses OPERA (OPEn (quantitative) structure-activity Relationship Application) V1.02 model ,to predict the melting point of chemical 2-hydroxypropyl octadec-9-enoate.

 

The melting point of chemical 2-hydroxypropyl octadec-9-enoate was estimated to be 19.2 degree C.

Description of key information

Based on prediction done from CompTox Chemistry Dashboard which uses OPERA (OPEn (quantitative) structure-activity Relationship Application) V1.02 model ,to predict the melting point of chemical 2-hydroxypropyl octadec-9-enoate.

 

The melting point of chemical 2-hydroxypropyl octadec-9-enoate was estimated to be 19.2 degree C.

Key value for chemical safety assessment

Melting / freezing point at 101 325 Pa:
19.2 °C

Additional information

Based on prediction done from CompTox Chemistry Dashboard which uses OPERA (OPEn (quantitative) structure-activity Relationship Application) V1.02 model ,to predict the melting point of chemical 2-hydroxypropyl octadec-9-enoate.

 

The melting point of chemical 2-hydroxypropyl octadec-9-enoate was estimated to be 19.2 degree C.