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:
Estimated data from ACD Labs.
Qualifier:
according to
Guideline:
other: Estimated data
Principles of method if other than guideline:
ACD/I-Lab accepts smiles of aluminium(3+) ion (5E)-6-oxo-5-[2-(4-sulfonatonaphthalen-1-yl)hydrazin-1-ylidene]-5,6-dihydronaphthalene-1,3-disulfonate and estimated data for surface tension using v12.1.0.50375.
GLP compliance:
not specified
Type of method:
other: Estimated data
Specific details on test material used for the study:
- Name of test material : aluminium(3+) ion (5E)-6-oxo-5-[2-(4-sulfonatonaphthalen-1-yl)hydrazin-1-ylidene]-5,6-dihydronaphthalene-1,3-disulfonate
- Molecular formula : C20H11AlN2O10S3
- Molecular weight : 562.491 g/mol
- Smiles notation : S(c1c2c(c(\N=N\c3c4c(cccc4)c(S(=O)(=O)[O-])cc3)c(cc2)O)cc(S(=O)(=O)[O-])c1)(=O)(=O)[O-].[Al+3]
- InChl : 1S/C20H14N2O10S3.Al/c23-17-7-5-14-15(9-11(33(24,25)26)10-19(14)35(30,31)32)20(17)22-21-16-6-8-18(34(27,28)29)13-4-2-1-3-12(13)16;/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32);/q;+3/p-3/b22-21+;
- Substance type: Organic
- Physical state : Solid
Key result
Surface tension:
0.087 N/m
Remarks on result:
other: no other details available
Conclusions:
Based on the data from ACD labs, surface tension for aluminium(3 +) ion (5E)-6 -oxo-5 -[2 -(4 -sulfonatonaphthalen-1 -yl)hydrazin-1 -ylidene]-5,6 -dihydronaphthalene-1,3 -disulfonate was predicted to be 0.0868 N/m.
Executive summary:

Based on the data from ACD labs, surface tension for aluminium(3 +) ion (5E)-6 -oxo-5 -[2 -(4 -sulfonatonaphthalen-1 -yl)hydrazin-1 -ylidene]-5,6 -dihydronaphthalene-1,3 -disulfonate was predicted to be 0.0868 N/m.

Description of key information

Based on the data from ACD labs, surface tension for aluminium(3 +) ion (5E)-6 -oxo-5 -[2 -(4 -sulfonatonaphthalen-1 -yl)hydrazin-1 -ylidene]-5,6 -dihydronaphthalene-1,3 -disulfonate was predicted to be 0.0868 N/m.

Key value for chemical safety assessment

Surface tension:
0.086

Additional information

Based on the data from ACD labs, surface tension for aluminium(3 +) ion (5E)-6 -oxo-5 -[2 -(4 -sulfonatonaphthalen-1 -yl)hydrazin-1 -ylidene]-5,6 -dihydronaphthalene-1,3 -disulfonate was predicted to be 0.0868 N/m.