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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
Reference:
Composition 0
Composition 0
Qualifier:
according to
Guideline:
other: as mentioned below
Principles of method if other than guideline:
ACD/I-Lab accepts smiles of 3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione and predicted data for density using v12.1.0.50375.
GLP compliance:
not specified
Type of method:
other: Predicted data from ACD/Labs
Test material information:
Composition 1
Specific details on test material used for the study:
- Name of test material (as cited in study report): 3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione
- Molecular formula : C16H8O2S2
- Molecular weight: 296.369 g/mol
- Smiles notation : O=C1c2c(S\C1=C1/Sc3c(cccc3)C1=O)cccc2
- InChl : 1S/C16H8O2S2/c17-13-9-5-1-3-7-11(9)19-15(13)16-14(18)10-6-2-4-8-12(10)20-16/h1-8H/b16-15-
- Substance type:Organic
- Physical state:Solid
Key result
Type:
density
Density:
1.544 g/cm³
Temp.:
20 °C
Remarks on result:
other: Estimated value=1.544 ± 0.06 g/cm3
Conclusions:
Based on prediction done using ACD/I-Lab 2.0,the density of chemical 3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione was estimated to be 1.544 g/cm3 at 20 Deg C.
Executive summary:

Based on prediction done using ACD/I-Lab 2.0,the density  of chemical 3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione was estimated to be 1.544 g/cm3 at 20 Deg C.

Description of key information

Based on prediction done using ACD/I-Lab 2.0,the density  of chemical 3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione was estimated to be 1.544 g/cm3 at 20 Deg C.

Key value for chemical safety assessment

Additional information

Based on prediction done using ACD/I-Lab 2.0,the density  of chemical 3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione was estimated to be 1.544 g/cm3 at 20 Deg C.