Registration Dossier
Registration Dossier
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EC number: 700-840-4 | CAS number: 160583-22-2
Surface tension
Administrative data
- Endpoint:
- surface tension
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: The result applies for the substance .
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other:
- Title:
- ACD/PhysChem DB
- Author:
- Advanced Chemistry Development, Inc
- Year:
- 2 012
- Bibliographic source:
- software (ACD Lab Release 12.00 / Product Version: 12.5)
Materials and methods
Test guideline
- Qualifier:
- no guideline required
- Type of method:
- other: QSAR
Test material
- Reference substance name:
- 2-phenylethyl 2-cyanoprop-2-enoate
- EC Number:
- 700-840-4
- Cas Number:
- 160583-22-2
- Molecular formula:
- C12 H11 N O2
- IUPAC Name:
- 2-phenylethyl 2-cyanoprop-2-enoate
- Reference substance name:
- [TN]PhECA[/TN][SPEC][/SPEC][AM] 98.8% [/AM]
- IUPAC Name:
- [TN]PhECA[/TN][SPEC][/SPEC][AM] 98.8% [/AM]
Constituent 1
Constituent 2
Results and discussion
Surface tension
- Surface tension:
- 43.07 other: dyne/cm
- Temp.:
- 25 °C
Any other information on results incl. tables
The surface tension was calculated for the following smiles: N#CC(=C)C(=O)OCCc1ccccc1
Applicant's summary and conclusion
- Executive summary:
The surface tension was calculated for the following smiles: N#CC(=C)C(=O)OCCc1ccccc1
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