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Molecule
Potassium Octanoate
CAS: 764-71-6 · C8H16KO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 764-71-6
- Molecular Formula
- C8H16KO2
- Molecular Mass
- 183.31 g/mol
Identifiers
CAS Registry Number
764-71-6
SMILES
CCCCCCCC(=O)O.[K]
InChI Key
NEDCBCQYSIPIMC-UHFFFAOYSA-N
InChI
InChI=1S/C8H16O2.K/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);
Names and Synonyms
- Potassium Octanoate Synonym
- Octanoic acid, potassium salt (1:1) Synonym
- Octanoic acid, potassium salt Synonym
- Potassium caprylate Synonym
- Potassium octanoate Synonym
- Potassium octoate Synonym
- Potassium n-octanoate Synonym
- EC 686 Synonym
- Caprylic acid potassium salt Synonym
- K 977 Synonym
- Potassium octylate Synonym
- Minico K 45 Synonym
- K 13 Synonym
- K 65 Synonym
- K 65 (salt) Synonym
- Pelron 9540A Synonym
- Kosmos 75DEG Synonym
- Kosmos 75MEG Synonym
- K-Zero G Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 183.31 g/mol | CAS Common Chemistry |
| 183.312 g/mol | RDKit | |
| 184.32 g/mol | chempirical lib | |
| Canonical SMILES | [K].O=C(O)CCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H16O2.K/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10); | CAS Common Chemistry |
| InChI Key | InChIKey=NEDCBCQYSIPIMC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Potassium octanoate | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 2.0507 | RDKit |
| Molar Refractivity | 46.76580000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.875 | RDKit |
| 0.88 | chempirical lib | |
| Exact Mass | 183.078736432 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 183.31 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H16KO2.
