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Physical & Chemical properties

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:
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 test material: 2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium acetate
- IUPAC name: 2-[(E)-2-{4-[ethyl(2-hydroxyethyl)amino]phenyl}diazen-1-yl]-6-methoxy-3-methyl-1,3-benzothiazol-3-ium acetate
- Molecular formula: C21H26N4O4S
- Molecular weight: 430.5264 g/mole
- Smiles : CCN(CCO)c1ccc(cc1)/N=N/c2[n+](c3ccc(cc3s2)OC)C.CC(=O)[O-]
- Inchl: 1S/C19H23N4O2S.C2H4O2/c1-4-23(11-12-24)15-7-5-14(6-8-15)20-21-19-22(2)17-10-9-16(25-3)13-18(17)26-19;1-2(3)4/h5-10,13,
24H,4,11-12H2,1-3H3;1H3,(H,3,4)/q+1;/p-1
- Substance type: Organic
- Physical state: Liquid
Key result
Surface tension:
46.7 mN/m
Remarks on result:
other: Estimated value = 46.7 ± 7.0 dyne/cm
Conclusions:
Based on the prediction done by ACD labs Software (v12.1.0.50375), the surface tension for chemical 2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium acetate was predicted to be 46.7 mN/m.
Executive summary:

Based on the prediction done by ACD labs Software (v12.1.0.50375), the surface tension for chemical 2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium acetate was predicted to be 46.7 mN/m.

Description of key information

Based on the prediction done by ACD labs Software (v12.1.0.50375), the surface tension for chemical 2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium acetate was predicted to be 46.7 mN/m.

Key value for chemical safety assessment

Surface tension:
46.7

Additional information

Based on the prediction done by ACD labs Software (v12.1.0.50375), the surface tension for chemical 2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium acetate was predicted to be 46.7 mN/m.