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Molecule
Dicobalt Octacarbonyl
CAS: 10210-68-1 · C8Co2O8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 10210-68-1
- Molecular Formula
- C8Co2O8
- Molecular Mass
- 341.95 g/mol
Identifiers
CAS Registry Number
10210-68-1
SMILES
[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-][O-].[C-][O-].[Co+2].[Co+2]
InChI Key
DNSOBZYUKVUICX-UHFFFAOYSA-N
InChI
InChI=1S/8CO.2Co/c8*1-2;;/q;;;;;;2*-2;2*+2
Names and Synonyms
- Dicobalt Octacarbonyl Synonym
- Cobalt, di-μ-carbonylhexacarbonyldi-, (Co-Co) Synonym
- Dicobalt octacarbonyl Synonym
- Cobalt carbonyl (Co2(CO)8) Synonym
- Cobalt tetracarbonyl dimer Synonym
- Di-μ-carbonylhexacarbonyldicobalt Synonym
- Octacarbonyldicobalt Synonym
- Dicobalt carbonyl (Co2(CO)8) Synonym
- Cobalt octacarbonyl (Co2(CO)8) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 341.95 g/mol | CAS Common Chemistry |
| 341.94599999999997 g/mol | RDKit | |
| 341.946 g/mol | RDKit | |
| 354.042 g/mol | chempirical lib | |
| Density | 1.78 g/cm³ | CAS Common Chemistry |
| 1.78 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dicobalt_octacarbonyl | CAS Common Chemistry |
| InChI Key | InChIKey=DNSOBZYUKVUICX-UHFFFAOYSA-N | CAS Common Chemistry |
| Boiling Point | 95 °C | CAS Common Chemistry |
| Canonical SMILES | O#C[Co+2]12(C#O)(C#O)[C-2](=O)[Co+2]2(C#O)(C#O)(C#O)[C-2]1=O | CAS Common Chemistry |
| InChI | InChI=1S/8CO.2Co/c8*1-2;;/q;;;;;;2*-2;2*+2 | CAS Common Chemistry |
| Melting Point | 51 °C (decomp) | CAS Common Chemistry |
| Name | Dicobalt octacarbonyl | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 165.52 Ų | RDKit |
| LogP | -2.44548 | RDKit |
| -2.4455 | RDKit | |
| Molar Refractivity | 30.06299999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 341.82570696000005 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
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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 = 341.95 g/mol; density = 1.780 g/mL. Edit any field — others recompute live.
