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.
Reference:
Composition 0
Qualifier:
according to
Guideline:
other: Estimated data
Principles of method if other than guideline:
ACD/I-Lab accepts smiles of 2-Naphthalenesulfonic acid, 7-amino-4-hydroxy-3-[[2-methoxy-5-methyl-4-[[2-(sulfooxy)ethyl]sulfonyl] phenyl]azo]-8-[[2-sulfo-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, tetrasodium salt (CAS no. 503155-49-5) and estimated data for surface tension using v12.1.0.50375.
GLP compliance:
not specified
Type of method:
other: Estimated data
Test material information:
Composition 1
Specific details on test material used for the study:
- Name of test material : 2-Naphthalenesulfonic acid, 7-amino-4-hydroxy-3-[[2-methoxy-5-methyl-4-[[2-(sulfooxy)ethyl]sulfonyl] phenyl]azo]-8-[[2-sulfo-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, tetrasodium salt
- Molecular formula : C28H25N5Na4O20S6
- Molecular weight : 1035.87 g/mol
- Smiles notation : Cc1cc(N=Nc2c(S(=O)(=O)O{-}.[Na]{+})cc3c(ccc(N)c3N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)O{-}.[Na]{+})cc3S(=O)(=O)O{-}.[Na]{+})c2O)c(OC)cc1S(=O)(=O)CCOS(=O)(=O)O{-}.[Na]{+}
- Substance type : Organic
- Physical state : Solid
Key result
Surface tension:
88.5 mN/m
Remarks on result:
other: no other details available
Conclusions:
Based on the data from ACD labs, surface tension for 2 -Naphthalenesulfonic acid, 7 -amino-4 -hydroxy-3 -[[2 -methoxy-5 -methyl-4 -[[2 -(sulfooxy)ethyl]sulfonyl] phenyl]azo]-8 -[[2 -sulfo-4 -[[2 -(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, tetrasodium salt (CAS no. 503155 -49 -5) was predicted to be 88.5 mN/m.
Executive summary:

Based on the data from ACD labs, surface tension for 2 -Naphthalenesulfonic acid, 7 -amino-4 -hydroxy-3 -[[2 -methoxy-5 -methyl-4 -[[2 -(sulfooxy)ethyl]sulfonyl] phenyl]azo]-8 -[[2 -sulfo-4 -[[2 -(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, tetrasodium salt (CAS no. 503155 -49 -5) was predicted to be 88.5 mN/m.

Description of key information

Based on the data from ACD labs, surface tension for 2 -Naphthalenesulfonic acid, 7 -amino-4 -hydroxy-3 -[[2 -methoxy-5 -methyl-4 -[[2 -(sulfooxy)ethyl]sulfonyl] phenyl]azo]-8 -[[2 -sulfo-4 -[[2 -(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, tetrasodium salt (CAS no. 503155 -49 -5) was predicted to be 88.5 mN/m.

Key value for chemical safety assessment

Additional information

Based on the data from ACD labs, surface tension for 2 -Naphthalenesulfonic acid, 7 -amino-4 -hydroxy-3 -[[2 -methoxy-5 -methyl-4 -[[2 -(sulfooxy)ethyl]sulfonyl] phenyl]azo]-8 -[[2 -sulfo-4 -[[2 -(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, tetrasodium salt (CAS no. 503155 -49 -5) was predicted to be 88.5 mN/m.