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Potassium Perfluorooctanesulfonate
CAS: 2795-39-3 | C8HF17KO3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2795-39-3
Molecular Formula:
C8HF17KO3S
Molecular Mass:
539.22 g/mol
Names and Synonyms:
Potassium Perfluorooctanesulfonate
1-Octanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-, potassium salt (1:1)
1-Octanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-, potassium salt
1-Octanesulfonic acid, heptadecafluoro-, potassium salt
Potassium perfluorooctanesulfonate
Heptadecafluorooctanesulfonic acid potassium salt
Potassium heptadecafluorooctane-1-sulfonate
FC 95
Fluorad FC 95
Potassium perfluorooctylsulfonate
Megafac F 110
Perfluorooctanesulfonic acid potassium salt
Megafac F 116
F 110
Fluortensid FT 800
Eftop EF 102
F 116
Fluorad 95
EF 102
Potassium heptadecafluorooctanesulfonate
LE 003
Potassium heptadecafluorooctan-1-sulfonate
FC 80
FC 95 surfactant
YF 95
Identifiers:
SMILES:
O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[K]
InChI:
InChI=1S/C8HF17O3S.K/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28;/h(H,26,27,28);
Key Properties
Melting Point
277-280 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 539.22 g/mol | CAS Common Chemistry |
| 539.2239999999999 g/mol | RDKit | |
| 538.901201312 g/mol | RDKit | |
| Canonical SMILES | [K].O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C8HF17O3S.K/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28;/h(H,26,27,28); | CAS Common Chemistry |
| InChI Key | InChIKey=QGTQTQBVAMFOGO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 277-280 °C | CAS Common Chemistry |
| Name | Potassium perfluorooctanesulfonate | CAS Common Chemistry |
| Heavy Atom Count | 30 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 54.370000000000005 Ų | RDKit |
| LogP | 4.460300000000001 | RDKit |
| Molar Refractivity | 57.98659999999998 | RDKit |
