Cas no 400-57-7 (Octadecyl 2,2,3,3,4,4,4-heptafluorobutanoate)
400-57-7 structure
Product Name:Octadecyl 2,2,3,3,4,4,4-heptafluorobutanoate
CAS No:400-57-7
MF:C22H37F7O2
MW:466.516812086105
CID:2825766
PubChem ID:537298
Update Time:2025-04-21
Octadecyl 2,2,3,3,4,4,4-heptafluorobutanoate Chemical and Physical Properties
Names and Identifiers
-
- octadecyl 2,2,3,3,4,4,4-heptafluorobutanoate
- DTXSID10336923
- OCTADECYL HEPTAFLUOROBUTANOATE
- 2,2,3,3,4,4,4-heptafluoro-butyric acid octadecyl ester
- Octadecyl 2,2,3,3,4,4,4-heptafluorobutanoate #
- NS00109139
- Octadecyl perfluorobutyrate
- 1-Octadecanol, heptafluorobutyrate
- 400-57-7
- Heptafluorobutyric acid, n-octadecyl ester
- Octadecyl heptafluorobutyrate
- Octadecyl 2,2,3,3,4,4,4-heptafluorobutanoate
-
- Inchi： 1S/C22H37F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31-19(30)20(23,24)21(25,26)22(27,28)29/h2-18H2,1H3
- InChI Key： ABJHYFXBHBSPMK-UHFFFAOYSA-N
- SMILES： FC(C(C(F)(F)F)(F)F)(C(=O)OCCCCCCCCCCCCCCCCCC)F
Computed Properties
- Exact Mass: 466.26817755Da
- Monoisotopic Mass: 466.26817755Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 31
- Rotatable Bond Count: 20
- Complexity: 465
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 11.4
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.076±0.06 g/cm3 (20 oC 760 Torr),
- Solubility: Insuluble (6.5E-6 g/L) (25 oC),
Octadecyl 2,2,3,3,4,4,4-heptafluorobutanoate Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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