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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
Names and Synonyms:
Dicobalt Octacarbonyl
Cobalt, di-μ-carbonylhexacarbonyldi-, (Co-Co)
Dicobalt octacarbonyl
Cobalt carbonyl (Co2(CO)8)
Cobalt tetracarbonyl dimer
Di-μ-carbonylhexacarbonyldicobalt
Octacarbonyldicobalt
Dicobalt carbonyl (Co2(CO)8)
Cobalt octacarbonyl (Co2(CO)8)
Identifiers:
SMILES:
[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-][O-].[C-][O-].[Co+2].[Co+2]
InChI:
InChI=1S/8CO.2Co/c8*1-2;;/q;;;;;;2*-2;2*+2
Key Properties
Boiling Point
95 °C
CAS Common Chemistry
Melting Point
51 °C (decomp)
CAS Common Chemistry
Density
1.78 g/cm³
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 | 341.95 g/mol | CAS Common Chemistry |
| 341.94599999999997 g/mol | RDKit | |
| 341.82570696000005 g/mol | RDKit | |
| Density | 1.78 g/cm³ | CAS Common Chemistry |
| 1.78 g/cm3 @ Temp: 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 |
| Molar Refractivity | 30.06299999999999 | RDKit |
