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Physical & Chemical properties

Surface tension

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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:
Estimated data from ACD Labs.
Qualifier:
according to
Guideline:
other: Estimated data
Principles of method if other than guideline:
ACD/I-Lab accepts smiles of Castor oil, sulfated and estimated 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 : Castor oil, sulfated
- Molecular formula : C57H104O18S3.Na3
- Molecular weight : 1239.5749 g/mol
- Smiles notation : CCCCCCC(C/C=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=CCC(CCCCCC)OS(=O)(=O)O{-}.[Na]{+})OC(=O)CCCCCCC/C=CCC(CCCCCC)OS(=O)(=O)O{-}.[Na]{+})OS(=O)(=O)O{-}.[Na]{+}
- InChl : 1S/C57H104O18S3.3Na/c1-4-7-10-31-40-51(73-76(61,62)63)43-34-25-19-13-16-22-28-37-46-55(58)70-49-54(72-57(60)48-39-30-24-18-15-21-27-36-45-53(75-78(67,68)69)42-33-12-9-6-3)50-71-56(59)47-38-29-23-17-14-20-26-35-44-52(74-77(64,65)66)41-32-11-8-5-2;;;/h25-27,34-36,51-54H,4-24,28-33,37-50H2,1-3H3,(H,61,62,63)(H,64,65,66)(H,67,68,69);;;/q;3*+1/p-3/b34-25-,35-26-,36-27-;;;
- Substance type : Organic
- Physical state : Liquid
Key result
Surface tension:
0.045 N/m
Remarks on result:
other: no other details available
Conclusions:
Based on the data from ACD labs, surface tension for castor oil, sulfated was predicted to be 0.0448 N/m.
Executive summary:

Based on the data from ACD labs, surface tension for castor oil, sulfated was predicted to be 0.0448 N/m.

Description of key information

Based on the data from ACD labs, surface tension for castor oil, sulfated was predicted to be 0.0448 N/m.

Key value for chemical safety assessment

Surface tension:
0.045

Additional information

Based on the data from ACD labs, surface tension for castor oil, sulfated was predicted to be 0.0448 N/m.