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EC number: 248-890-1 | CAS number: 28188-41-2
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 the test material: α-bromo-m-toluonitrile
- IUPAC name: 3-(bromomethyl)benzonitrile
- Molecular formula: C8H6BrN
- Molecular weight: 196.046 g/mol
- Smiles: N#Cc1cc(CBr)ccc1
- Inchi: 1S/C8H6BrN/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5H2
- Substance type: Organic
- Physical state : Solid crystalline powder (Off white) - Key result
- Surface tension:
- 79 other: dyne/cm
- Remarks on result:
- other: Estimated value=79.0 ± 3.0 dyne/cm
- Conclusions:
- Based on the prediction done by ACD labs, the surface tension for chemical 3-(bromomethyl)benzonitrile was predicted to be 49.5 ± 5.0 dyne/cm.
- Executive summary:
Based on the prediction done by ACD labs Software (v12.1.0.50375), the surface tension for 3-(bromomethyl)benzonitrile was predicted to be 49.5 ± 5.0 dyne/cm.
Reference
Description of key information
Based on the prediction done by ACD labs, the surface tension for chemical 3-(bromomethyl)benzonitrile was predicted to be 49.5 ± 5.0 dyne/cm.
Key value for chemical safety assessment
- Surface tension:
- 49.5
Additional information
Based on the prediction done by ACD labs Software (v12.1.0.50375), the surface tension for 3-(bromomethyl)benzonitrile was predicted to be 49.5 ± 5.0 dyne/cm.
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