Cas no 67699-49-4 (Octanoic acid, pentadecafluoro-, octyl ester)
67699-49-4 structure
Product Name:Octanoic acid, pentadecafluoro-, octyl ester
CAS No:67699-49-4
MF:C16H17F15O2
MW:526.281038045883
CID:394259
PubChem ID:71374765
Update Time:2025-04-19
Octanoic acid, pentadecafluoro-, octyl ester Chemical and Physical Properties
Names and Identifiers
-
- Octanoic acid, pentadecafluoro-, octyl ester
- octyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate
- DTXSID40797528
- Octyl perfluorooctanoate
- Octyl pentadecafluorooctanoate
- 67699-49-4
- Pentadecafluorooctanoic acid, octyl ester
-
- Inchi： 1S/C16H17F15O2/c1-2-3-4-5-6-7-8-33-9(32)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)31/h2-8H2,1H3
- InChI Key： VEBKXAIAEQLIIR-UHFFFAOYSA-N
- SMILES： FC(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(C(=O)OCCCCCCCC)(F)F)(F)F)(F)F)F
Computed Properties
- Exact Mass: 526.09891
- Monoisotopic Mass: 526.0989022g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 17
- Heavy Atom Count: 33
- Rotatable Bond Count: 14
- Complexity: 655
- 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: 8.7
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Octanoic acid, pentadecafluoro-, octyl ester Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
67699-49-4 (Octanoic acid, pentadecafluoro-, octyl ester) Related Products
- 336-59-4(Heptafluorobutyric Anhydride)
- 356-24-1(Methyl heptafluorobutyrate)
- 424-40-8(Diethyl hexafluoroglutarate)
- 56554-52-0(methyl perfluorododecanoate)
- 356-27-4(Ethyl Perfluorobutyrate)
- 51502-45-5(Methyl Perfluorononanoate)
- 1559-07-5(n-Butyl Heptafluorobutyrate)
- 376-27-2(Methyl perfluorooctanoate)
- 376-68-1(hexafluorooxane-2,6-dione)
- 3107-98-0(dimethyl octafluoroadipate)
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