Sodium phenylacetate

Density

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