Registration Dossier

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: Sodium phenylacetate
- IUPAC name: Sodium 2-phenylacetate
- Molecular formula: C8H7NaO2
- Molecular weight: 158.1313 g/mole
- Smiles : c1(ccccc1)CC(=O)[O-].[Na+]
- Inchl: 1S/C8H8O2.Na/c9-8(10)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);/q;+1/p-1
- Substance type: Organic
- Physical state: Solid
Key result
Type:
density
Density:
ca. 1.164 g/cm³
Remarks on result:
other: Estimated value=1.164 ± 0.06 g/cm3
Conclusions:
Based on prediction done using ACD/I-Lab 2.0, the density of chemical Sodium phenylacetate was estimated to be 1.164 ± 0.06 g/cm3
Executive summary:

Based on prediction done using ACD/I-Lab 2.0, the density of chemical Sodium phenylacetate was estimated to be 1.164 ± 0.06 g/cm3

Description of key information

Based on prediction done using ACD/I-Lab 2.0, the density of chemical Sodium phenylacetate was estimated to be 1.164 ± 0.06 g/cm3

Key value for chemical safety assessment

Relative density at 20C:
1.164

Additional information

Based on prediction done using ACD/I-Lab 2.0, the density of chemical Sodium phenylacetate was estimated to be 1.164 ± 0.06 g/cm3