Registration Dossier

Physical & Chemical properties

Surface tension

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
surface tension
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 surface tension using v12.1.0.50375.
GLP compliance:
not specified
Type of method:
other: no data
Specific details on test material used for the study:
- Name of the test material: Sodium 4-chloro-3-nitrobenzenesulphonate
- IUPAC Name : sodium 4-chloro-3-nitrobenzene-1-sulfonate
- Molecular formula: C6H4ClNO5SNa
- Molecular weight: 259.601 g/mol
- Smiles: S(=O)(=O)([O-])c1cc([N+]([O-])=O)c(Cl)cc1.[Na+]
- InChI: 1S/C6H4ClNO5S.Na/c7-5-2-1-4(14(11,12)13)3-6(5)8(9)10;/h1-3H,(H,11,12,13);/q;+1/p-1
- Substance type: Organic
- Physical state: Solid powder (Off white to pale yellow)
Key result
Surface tension:
70.7 other: dyne/cm
Remarks on result:
other: Estimated value = 70.7 ± 3.0 dyne/cm
Conclusions:
Based on the prediction done by ACD labs, the surface tension for chemical Sodium 4-chloro-3-nitrobenzenesulphonate was predicted to be 70.7 ± 3.0 dyne/cm
Executive summary:

Based on the prediction done by ACD labs Software (v12.1.0.50375), the surface tension for chemical Sodium 4-chloro-3-nitrobenzenesulphonate was predicted to be 70.7 ± 3.0 dyne/cm.

Description of key information

Based on the prediction done by ACD labs, the surface tension for chemical Sodium 4-chloro-3-nitrobenzenesulphonate was predicted to be 70.7 ± 3.0 dyne/cm

Key value for chemical safety assessment

Surface tension:
70.7

Additional information

Based on the prediction done by ACD labs Software (v12.1.0.50375), the surface tension for chemical Sodium 4-chloro-3-nitrobenzenesulphonate was predicted to be 70.7 ± 3.0 dyne/cm.