Registration Dossier

Diss Factsheets

Physical & Chemical properties

Density

Currently viewing:

Administrative data

Link to relevant study record(s)

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
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

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