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Physical & Chemical properties

Surface tension

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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: estimated data
Specific details on test material used for the study:
- Name of test material (as cited in study report): 2-phenylethyl benzoate
- Molecular formula: C15H14O2
- Molecular weight: 226.274 g/mol
- Substance type: organic
- Physical state: Liquid
- Smiles notation: c1(C(OCCc2ccccc2)=O)ccccc1
- InChl: 1S/C15H14O2/c16-15(14-9-5-2-6-10-14)17-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2
Key result
Surface tension:
ca. 43 other: dyne/cm
Remarks on result:
other: estimated value=43.0 ± 3.0 dyne/cm
Conclusions:
Based on the prediction done using ACD labs, surface tension of test chemical was predicted to be 43.0 ± 3.0 dyne/cm
Executive summary:

Based on the prediction done using  ACD labs, surface tension of test chemical was predicted to be 43.0 ± 3.0 dyne/cm

Description of key information

Based on the prediction done using ACD labs, surface tension of test chemical was predicted to be 43.0 ± 3.0 dyne/cm

Key value for chemical safety assessment

Surface tension:
43

Additional information

Based on the prediction done using ACD labs, surface tension of test chemical was predicted to be 43.0 ± 3.0 dyne/cm