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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): butyl 12-acetoxyoctadec-9-enoate
- Molecular formula : C24H44O4
- Molecular weight : 396.6076 g/mol
- Smiles notation : CCCCCC[C@H](C\C=C/CCCCCCCC(=O)OCCCC)OC(=O)C
- InChl : 1S/C24H44O4/c1-4-6-8-15-18-23(28-22(3)25)19-16-13-11-9-10-12-14-17-20-24(26)27-21-7-5-2/h13,16,23H,4-12,14-15,17-21H2,1-3H3/b16-13-/t23-/m1/s1
- Substance type:Organic
- Physical state:Liquid
Key result
Type:
density
Density:
0.931 g/cm³
Remarks on result:
other: Estimated value is 0.931 ± 0.06 g/cm3
Conclusions:
Based on prediction done using ACD/I-Lab 2.0,the density of chemical butyl 12-acetoxyoctadec-9-enoate was estimated to be 0.931 ± 0.06 g/cm3
Executive summary:

Based on prediction done using ACD/I-Lab 2.0,the density of  chemical butyl 12-acetoxyoctadec-9-enoate  was estimated to be 0.931 ± 0.06 g/cm3

Description of key information

Based on prediction done using ACD/I-Lab 2.0,the density of  chemical butyl 12-acetoxyoctadec-9-enoate  was estimated to be 0.931 ± 0.06 g/cm3

Key value for chemical safety assessment

Relative density at 20C:
0.931

Additional information

Based on prediction done using ACD/I-Lab 2.0,the density of  chemical butyl 12-acetoxyoctadec-9-enoate  was estimated to be 0.931 ± 0.06 g/cm3.

Other supporting study from authoritative database,the density of chemical butyl 12-acetoxyoctadec-9-enoate was estimated to be 0.931±0.06 g/cm3  at 20 degree c , 760 torr pressure and from available safety data sheet the density of chemical was determined to be 0.931 g/cm3 at 25 degree C.