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EC number: 947-403-6 | CAS number: -
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:
- - IUPAC name: Reaction mass of 3H-Indolium, 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl- & acetate- Molecular formula: C23H26N3.C2H3O2- Molecular weight: 403.5231g/mole- Smiles : CC(=O)[O-].CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC=C(C=C3)N(C)CCC#N)C)C- Inchl: 1S/C23H26N3.C2H4O2/c1-23(2)20-8-5-6-9-21(20)26(4)22(23)15-12-18-10-13-19(14-11-18)25(3)17-7-16-24;1-2(3)4/h5-6,8-15H,7,17H2,1-4H3;1H3,(H,3,4)/q+1;/p-1- Substance type: Organic- Physical state: Greenish lustrous liquid
- Key result
- Surface tension:
- 52.8 other: dyne/cm
- Remarks on result:
- other: Estimated value = 52.8 ± 3.0 dyne/cm
- Conclusions:
- Based on the prediction done by ACD labs, the surface tension for chemical Reaction mass of 3H-Indolium, 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl- & acetate was predicted to be 52.8 ± 3.0 dyne/cm.
- Executive summary:
Based on the prediction done by ACD labs Software (v12.1.0.50375), the surface tension for chemical Reaction mass of 3H-Indolium, 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl- & acetate was predicted to be 52.8 ± 3.0 dyne/cm.
Reference
Description of key information
Based on the prediction done by ACD labs, the surface tension for chemical Reaction mass of 3H-Indolium, 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl- & acetate was predicted to be 52.8 ± 3.0 dyne/cm.
Key value for chemical safety assessment
- Surface tension:
- 52.8
Additional information
Based on the prediction done by ACD labs Software (v12.1.0.50375), the surface tension for chemical Reaction mass of 3H-Indolium, 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl- & acetate was predicted to be 52.8 ± 3.0 dyne/cm.
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