Registration Dossier

Physical & Chemical properties

Surface tension

Currently viewing:

Administrative data

Link to relevant study record(s)

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 : Reaction mass of 3H-​Indolium, 2-​[[2-​(4-​methoxyphenyl)​-​2-​methylhydrazinyliden​e]​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-​methylhydrazinyliden​e]​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-​methylhydrazinyliden​e]​methyl]​-​1,​3,​3-​trimethyl-​ & acetate was predicted to be 40.2 ± 7.0 dyne/cm.

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-​methylhydrazinyliden​e]​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-​methylhydrazinyliden​e]​methyl]​-​1,​3,​3-​trimethyl-​ & acetate (CAS No. 58798-47-3) was predicted to be 40.2 ± 7.0 dyne/cm.