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Physical & Chemical properties

Surface tension

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Administrative data

Endpoint:
surface tension
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2014
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: US EPA Toxicity Estimation Software Tool (TEST) v.4.1, accepted QSAR method for organic chemicals properties assessment.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Referenceopen allclose all

Reference Type:
publication
Title:
The Toxicity Estimation Software Tool (T.E.S.T.).
Author:
YOUNG, D. M.
Year:
2010
Bibliographic source:
Presented at New England Green Chemistry Networking Forum , Boston, MA, December 16, 2010.
Reference Type:
publication
Title:
Evaluation of different statistical approaches for the validation of quantitative structure-activity relationships.
Author:
Gramatica, P., and Pilutti, P.
Year:
2004
Bibliographic source:
Ispra, Italy: The European Commission - Joint Research Centre, Institute for Health & Consumer Protection - ECVAM.

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: QSAR
GLP compliance:
no
Remarks:
not applicable to QSAR models

Test material

Constituent 1
Chemical structure
Reference substance name:
2-oxo-2-[(4aS,4bS,5aS,6aS,6bS,9aR,10aS,10bS)-4a,6a,8,8-tetramethyl-2-oxo-2,5a,6,6a,9a,10,10a,10b,11,12-decahydronaphtho[2’,1’:4,5]oxireno[5,6]indeno[1,2-d][1,3]dioxol-6b(4aH)-yl]ethyl acetate
EC Number:
607-542-2
Cas Number:
25092-32-4
Molecular formula:
C26H32O7
IUPAC Name:
2-oxo-2-[(4aS,4bS,5aS,6aS,6bS,9aR,10aS,10bS)-4a,6a,8,8-tetramethyl-2-oxo-2,5a,6,6a,9a,10,10a,10b,11,12-decahydronaphtho[2’,1’:4,5]oxireno[5,6]indeno[1,2-d][1,3]dioxol-6b(4aH)-yl]ethyl acetate

Results and discussion

Surface tension
Surface tension:
35.91 other: dyn/cm
Temp.:
25 °C
Remarks on result:
other: Calculated by T.E.S.T.

Applicant's summary and conclusion

Conclusions:
A surface tension of 35.91 dyn/cm has been calculated.