Registration Dossier

Physical & Chemical properties

Surface tension

Currently viewing:

Administrative data

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.
Reference:
Composition 1
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
Test material information:
Composition 1
Specific details on test material used for the study:
Name of the test chemical: (2E)-3,7-dimethylocta-2,6-dien-1-yl 2-phenylacetate/ Geranyl phenylacetate
Molecular formula: C18H24O2
Molecular weight: 272.3856 g/mol
Smiles Notation: c1(CC(OC\C=C(\CC\C=C(\C)C)C)=O)ccccc1
InChI: 1S/C18H24O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,8,10-12H,7,9,13-14H2,1-3H3/b16-12+
Substance Type: Organic
Physical State: Liquid (Colorless)
Key result
Surface tension:
34.5 other: dyne/cm
Remarks on result:
other: Estimated value= 34.5 ± 3.0 dyne/cm
Conclusions:
The surface tension for chemical Geranyl phenylacetate was predicted to be 34.5 ± 3.0 dyne/cm.
Executive summary:

Based on the prediction done by ACD labs Software (v12.1.0.50375), the surface tension for chemical Geranyl phenylacetate was predicted to be 34.5 ± 3.0 dyne/cm.

Description of key information

The surface tension for chemical Geranyl phenylacetate was predicted to be 34.5 ± 3.0 dyne/cm.

Key value for chemical safety assessment

Additional information

Based on the prediction done by ACD labs Software (v12.1.0.50375), the surface tension for chemical Geranyl phenylacetate was predicted to be 34.5 ± 3.0 dyne/cm.