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EC number: 947-405-7 | 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:
- - Name of test material : Reaction mass of 3H-Indolium, 2-[[2-(4-methoxyphenyl)-2-methylhydrazinylidene]methyl]-1,3,3-trimethyl- & acetate- Molecular formula : C20H24N3OC2H3O2- Molecular weight : 381.473 g/mol- Smiles notation : [N+]=1(c2ccccc2C(C)(C)C1\C=N\NCc1ccc(cc1)OC)C.C(C)(=O)[O-]- InChl : 1S/C20H23N3O.C2H4O2/c1-20(2)17-7-5-6-8-18(17)23(3)19(20)14-22-21-13-15-9-11-16(24-4)12-10-15;1-2(3)4/h5-12,14H,13H2,1-4H3;1H3,(H,3,4)- Substance type: Organic- Physical state: Liquid (Yellow)
- Key result
- Surface tension:
- 40.2 other: dyne/cm
- Remarks on result:
- other: Estimated value = 40.2 ± 7.0 dyne/cm
- Conclusions:
- Based on the prediction done by ACD labs, the surface tension for chemical Reaction mass of 3H-Indolium, 2-[[2-(4-methoxyphenyl)-2-methylhydrazinylidene]methyl]-1,3,3-trimethyl- & acetate was predicted to be 40.2 ± 7.0 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-methoxyphenyl)-2-methylhydrazinylidene]methyl]-1,3,3-trimethyl- & acetate was predicted to be 40.2 ± 7.0 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-methoxyphenyl)-2-methylhydrazinylidene]methyl]-1,3,3-trimethyl- & acetate (CAS No. 58798-47-3) was predicted to be 40.2 ± 7.0 dyne/cm.
Key value for chemical safety assessment
- Surface tension:
- 40.2
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-methoxyphenyl)-2-methylhydrazinylidene]methyl]-1,3,3-trimethyl- & acetate (CAS No. 58798-47-3) was predicted to be 40.2 ± 7.0 dyne/cm.
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