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Surface tension

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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
Guideline:
other: Estimated data
Principles of method if other than guideline:
ACD/I-Lab accepts smiles of Disodium [5-chloro-3-[[4,5-dihydro-3-methyl-5-oxo-1-(3-sulphophenyl)-1H-pyrazol-4-yl]azo]-2-hydroxybenzene-1- sulphonato(4-)]hydroxychromate(2-) 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 the test material (IUPAC Name): Disodium [5-chloro-3-[[4,5-dihydro-3-methyl-5-oxo-1-(3-sulphophenyl)-1H-pyrazol-4-yl]azo]-2-hydroxybenzene-1-sulphonato(4-)]hydroxychromate(2-)
- Common Name: Acid Red 183
- Molecular formula: C16H13ClCrN4O9S2
- Molecular weight: 599.835 g/mol
- Smiles notation: N1(c2cc(ccc2)S(=O)(=O)[O-])C([C@@-](\N=N\c2c(c(cc(c2)Cl)S(=O)(=O)[O-])[O-])C(=N1)C)=O.[Cr].[Na+].[Na+].[OH-]
- InChl: 1S/C16H12ClN4O8S2.Cr.2Na.H2O/c1-8-14(19-18-12-5-9(17)6-13(15(12)22)31(27,28)29)16(23)21(20-8)10-3-2-4-11(7-10)30(24,25)26;;;;/h2-7,22H,1H3,(H,24,25,26)(H,27,28,29);;;;1H2/q-1;;2*+1;/p-4/b19-18+;;;;
- Substance type: Organic
- Physical state: Solid
Key result
Surface tension:
0.083 N/m
Remarks on result:
other: no other details available
Conclusions:
Based on the data from ACD labs, surface tension for Disodium [5 -chloro-3 -[[4,5 -dihydro-3 -methyl-5 -oxo-1 -(3 -sulphophenyl)-1H-pyrazol-4 -yl]azo]-2 -hydroxybenzene-1 -sulphonato(4 -)]hydroxychromate(2 -) was predicted to be 0.083 N/m.
Executive summary:

Based on the data from ACD labs, surface tension for Disodium [5 -chloro-3 -[[4,5 -dihydro-3 -methyl-5 -oxo-1 -(3 -sulphophenyl)-1H-pyrazol-4 -yl]azo]-2 -hydroxybenzene-1 -sulphonato(4 -)]hydroxychromate(2 -) was predicted to be 0.083 N/m.

Description of key information

Based on the data from ACD labs, surface tension for Disodium [5 -chloro-3 -[[4,5 -dihydro-3 -methyl-5 -oxo-1 -(3 -sulphophenyl)-1H-pyrazol-4 -yl]azo]-2 -hydroxybenzene-1 -sulphonato(4 -)]hydroxychromate(2 -) was predicted to be 0.083 N/m.

Key value for chemical safety assessment

Surface tension:
0.083

Additional information

Based on the data from ACD labs, surface tension for Disodium [5 -chloro-3 -[[4,5 -dihydro-3 -methyl-5 -oxo-1 -(3 -sulphophenyl)-1H-pyrazol-4 -yl]azo]-2 -hydroxybenzene-1 -sulphonato(4 -)]hydroxychromate(2 -) was predicted to be 0.083 N/m.