| Typical physical and chemical properties | |
|---|---|
| Catalog Number | ACM335671-3 |
| Product Name | Perfluorooctanoic acid |
| CAS | 335-67-1 |
| Structure |  |
| Synonyms | PFOA;Octanoic acid, pentadecafluoro- |
| IUPAC Name | 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctanoic acid |
| Molecular Weight | 414.07 |
| Molecular Formula | C8HF15O2 |
| Canonical SMILES | C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O |
| InChI | SNGREZUHAYWORS-UHFFFAOYSA-N |
| InChIKey | InChI=1S/C8HF15O2/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h(H,24,25) |
| Boiling Point | 189 °C 736mmHg(lit.) |
| Melting Point | 55-56 °C(lit.) |
| Flash Point | 189-192 °C |
| Purity | 98% |
| Density | 1.7g/ml |
| Complexity | 530 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 413.9737017 |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 17 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Monoisotopic Mass | 413.9737017 |
| pH | 2-3 |
| Physical State | Solid |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 37.3 Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| MSDS | Download MSDS |
| COA | Download COA |
| Spec Sheet | Download Spec Sheet |
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