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EC number: 254-529-9 | CAS number: 39577-43-0
Density
Administrative data
Link to relevant study record(s)
- 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
- 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: 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine
- Molecular formula :C13H18Cl2N2
- Molecular weight :273.205 g/mol
- Smiles notation : N1(c2cc(Cl)ccc2)CCN(CC1)CCCCl
- InChl : 1S/C13H18Cl2N2/c14-5-2-6-16-7-9-17(10-8-16)13-4-1-3-12(15)11-13/h1,3-4,11H,2,5-10H2
- Substance type:Organic
- Physical state:Solid - Key result
- Type:
- density
- Density:
- ca. 1.186 g/cm³
- Remarks on result:
- other: Estimated value=1.186 ± 0.06 g/cm3
- Conclusions:
- Based on prediction done using ACD/I-Lab 2.0,the density of chemical 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine was estimated to be 1.186 ± 0.06 g/cm3
- Executive summary:
Based on prediction done using ACD/I-Lab 2.0,the density of chemical 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine was estimated to be1.186 ± 0.06 g/cm3
Reference
Description of key information
Based on prediction done using ACD/I-Lab 2.0,the density of chemical 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine was estimated to be1.186 ± 0.06 g/cm3
Key value for chemical safety assessment
- Relative density at 20C:
- 1.186
Additional information
Based on prediction done using ACD/I-Lab 2.0,the density of chemical 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine was estimated to be1.186 ± 0.06 g/cm3.
Other supporting study from authoritative database also indicates that the density of chemical 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine was estimated to be 1.186 ± 0.06 g/cm3 at 20 degree C and 760 Torr pressure,which is same as selected key study value
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