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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
Specific details on test material used for the study:
- Name of test material: 2-chlorobenzene-1,4-diammonium sulphate
- IUPAC name: 2-chlorobenzene-1,4-diammonium sulphate
- Molecular formula: C6H7ClN2.xH2O4S
- Molecular weight: 240.6661 g/mole
- Smiles : S(=O)(=O)(O)O.c1(c(ccc(c1)N)N)Cl
- Inchl: 1S/C6H7ClN2.H2O4S/c7-5-3-4(8)1-2-6(5)9;1-5(2,3)4/h1-3H,8-9H2;(H2,1,2,3,4)
- Substance type: Organic
- Physical state: Solid (Light grey powder)
Key result
Type:
density
Density:
1.345 g/cm³
Remarks on result:
other: Estimated value is 1.345 ± 0.06 g/cm3
Conclusions:
The density of chemical 2-chlorobenzene-1,4-diammonium sulphate was estimated to be 1.345 ± 0.06 g/cm3.
Executive summary:

Based on prediction done using ACD/I-Lab 2.0 and Scifinder, the density of chemical 2-chlorobenzene-1,4-diammonium sulphate was estimated to be 1.345 ± 0.06 g/cm3.

Description of key information

The density of chemical 2-chlorobenzene-1,4-diammonium sulphate was estimated to be 1.345 ± 0.06 g/cm3.

Key value for chemical safety assessment

Relative density at 20C:
1.345

Additional information

Based on prediction done using ACD/I-Lab 2.0, the density of chemical 2-chlorobenzene-1,4-diammonium sulphate was estimated to be 1.345 ± 0.06 g/cm3.