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Physical & Chemical properties

Density

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Reference
Endpoint:
density, other
Remarks:
Density
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Predicted data from ACD/Labs
Qualifier:
according to
Guideline:
other: as mentioned below
Principles of method if other than guideline:
ACD/I-Lab accepts smiles of test item and predicted data for density using v12.1.0.50375.
GLP compliance:
not specified
Type of method:
other: Predicted data from ACD/Labs
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
Type:
density
Density:
0.919 g/cm³
Remarks on result:
other: Estimated value=0.919 ± 0.06 g/cm3
Conclusions:
Based on prediction done using ACD/I-Lab 2.0,the density of chemical 2-hydroxypropyl octadec-9-enoate was estimated to be 0.919 ± 0.06 g/cm3
Executive summary:

Based on prediction done using ACD/I-Lab 2.0,the density of chemical 2-hydroxypropyl octadec-9-enoate was estimated to be 0.919 ± 0.06 g/cm3

Description of key information

Based on prediction done using ACD/I-Lab 2.0,the density of chemical 2-hydroxypropyl octadec-9-enoate was estimated to be 0.919 ± 0.06 g/cm3

Key value for chemical safety assessment

Relative density at 20C:
0.919

Additional information

Based on prediction done using ACD/I-Lab 2.0,the density of chemical 2-hydroxypropyl octadec-9-enoate was estimated to be 0.919 ± 0.06 g/cm3