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EC number: 281-638-9 | CAS number: 84000-82-8
Surface tension
Administrative data
Link to relevant study record(s)
- 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
- 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: 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate
- IUPAC name: 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate
- Molecular formula: C18H21N6.C2H3O2
- Molecular weight: 380.4496 g/mole
- Smiles : CC(=O)[O-].Cn1cn[n+](c1/N=N/c2ccc(cc2)N(C)Cc3ccccc3)C
- Inchl: 1S/C18H21N6.C2H4O2/c1-22(13-15-7-5-4-6-8-15)17-11-9-16(10-12-17)20-21-18-23(2)14-19-24(18)3;1-2(3)4/h4-12,14H,13H2,1-3H3;1H3,(H,3,4)/q+1;/p-1
- Substance type: Organic
- Physical state: Liquid - Key result
- Surface tension:
- 46.3 other: dyne/cm
- Remarks on result:
- other: Estimated value = 46.3 ± 7.0 dyne/cm
- Conclusions:
- Based on the prediction done by ACD labs, the surface tension for chemical 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate was predicted to be 46.3 ± 7.0 dyne/cm
- Executive summary:
Based on the prediction done by ACD labs Software (v12.1.0.50375), the surface tension for chemical 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate was predicted to be 46.3 ± 7.0 dyne/cm
Reference
Description of key information
Based on the prediction done by ACD labs, the surface tension for chemical 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate was predicted to be 46.3 ± 7.0 dyne/cm
Key value for chemical safety assessment
- Surface tension:
- 46.3
Additional information
Based on the prediction done by ACD labs Software (v12.1.0.50375), the surface tension for chemical 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate was predicted to be 46.3 ± 7.0 dyne/cm
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