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Physical & Chemical properties

Surface tension

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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:
- IUPAC name:Reaction mass of Ethanaminium, N-​[4-​[[4-​(diethylamino)​phenyl]​phenylmethylene]​-​2,​5-​cyclohexadien-​1-​ylidene]​-​N-​ethyl-​ & acetate
- Molecular formula: C29H36N2O2
- Molecular weight: 444.615 g/mole
- Smiles : [N+](=C1\C=C\C(C=C1)=C(\c1ccccc1)c1ccc(cc1)N(CC)CC)(\CC)CC.C(C)(=O)[O-]
- Inchl: 1S/C27H33N2.C2H4O2/c1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4;1-2(3)4/h9-21H,5-8H2, 1-4H3;1H3,(H,3,4)/q+1;/p-1
- Substance type: Organic
- Physical state: maroon lustrous liquid
Key result
Surface tension:
46.8 other: dyne/cm
Remarks on result:
other: Estimated value = 46.8 ± 5.0 dyne/cm
Conclusions:
Based on the prediction done by ACD labs, the surface tension for chemical Reaction mass of Ethanaminium, N-​[4-​[[4-​(diethylamino)​phenyl]​phenylmethylene]​-​2,​5-​cyclohexadien-​1-​ylidene]​-​N-​ethyl-​ & acetate was predicted to be 46.8 ± 5.0 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 Ethanaminium, N-​[4-​[[4-​(diethylamino)​phenyl]​phenylmethylene]​-​2,​5-​cyclohexadien-​1-​ylidene]​-​N-​ethyl-​ & acetate was predicted to be  46.8 ± 5.0 dyne/cm.

Description of key information

Based on the prediction done by ACD labs, the surface tension for chemical Reaction mass of Ethanaminium, N-​[4-​[[4-​(diethylamino)​phenyl]​phenylmethylene]​-​2,​5-​cyclohexadien-​1-​ylidene]​-​N-​ethyl-​ & acetate was predicted to be  46.8 ± 5.0 dyne/cm.

Key value for chemical safety assessment

Surface tension:
46.8

Additional information

Based on the prediction done by ACD labs Software (v12.1.0.50375), the surface tension for chemical Reaction mass of Ethanaminium, N-​[4-​[[4-​(diethylamino)​phenyl]​phenylmethylene]​-​2,​5-​cyclohexadien-​1-​ylidene]​-​N-​ethyl-​ & acetate was predicted to be  46.8 ± 5.0 dyne/cm.