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EC number: 947-404-1 | 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:
- Estimated data from ACD Labs.
- Qualifier:
- according to guideline
- Guideline:
- other: Estimated data
- Principles of method if other than guideline:
- ACD/I-Lab accepts smiles of Reaction mass of Methylium, tris[4-(diethylamino)phenyl]- & acetate and estimated data for surface tension using v12.1.0.50375.
- GLP compliance:
- not specified
- Type of method:
- other: Estimated data
- Specific details on test material used for the study:
- - Name of the test material (IUPAC name): Reaction mass of Methylium, tris[4-(diethylamino)phenyl]- & acetate- Common name: Basic Violet 4- Molecular weight: 515.7375- Molecular formula: C33H45N3O2- Smiles: CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=C(C=C3)N(CC)CC.CC(=O)[O-]- Inchl: 1S/C31H42N3.C2H4O2/c1-7-32(8-2)28-19-13-25(14-20-28)31(26-15-21-29(22-16-26)33(9-3)10-4)27-17-23-30(24-18-27)34(11-5)12-6;1-2(3)4/h13-24H,7-12H2,1-6H3;1H3,(H,3,4)/q+1;/p-1- Substance type: Organic- Physical Appearance: greenish lustrous liquid- Stability: Stable in recommended storage conditions- Storage Conditions: Ambient Temp (23 to 27 °C)
- Key result
- Surface tension:
- 0.042 N/m
- Remarks on result:
- other: no other details available
- Conclusions:
- Based on the data from ACD labs, surface tension for Reaction mass of Methylium, tris[4-(diethylamino)phenyl]- & acetate was predicted to be 0.0424 N/m.
- Executive summary:
Based on the data from ACD labs, surface tension for Reaction mass of Methylium, tris[4-(diethylamino)phenyl]- & acetate was predicted to be 0.0424 N/m.
Reference
Description of key information
Based on the data from ACD labs, surface tension for Reaction mass of Methylium, tris[4-(diethylamino)phenyl]- & acetate was predicted to be 0.0424 N/m.
Key value for chemical safety assessment
- Surface tension:
- 0.042
Additional information
Based on the data from ACD labs, surface tension for Reaction mass of Methylium, tris[4-(diethylamino)phenyl]- & acetate was predicted to be 0.0424 N/m.
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