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Molecule
Tantalum(V) Ethoxide
CAS: 6074-84-6 · C2H6OTa
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6074-84-6
- Molecular Formula
- C2H6OTa
- Molecular Mass
- 227.02 g/mol
Identifiers
CAS Registry Number
6074-84-6
SMILES
CCO.[Ta]
InChI Key
JVOQKOIQWNPOMI-UHFFFAOYSA-N
InChI
InChI=1S/C2H6O.Ta/c1-2-3;/h3H,2H2,1H3;
Names and Synonyms
- Tantalum(V) Ethoxide Common Name
- Ethanol, tantalum(5+) salt (5:1) Synonym
- Ethyl alcohol, tantalum(5+) salt Synonym
- Ethanol, tantalum(5+) salt Synonym
- Tantalum ethoxide Synonym
- Pentaethoxytantalum Synonym
- Pentaethyl tantalate Synonym
- Tantalum pentaethoxide Synonym
- Tantalum pentethoxide Synonym
- Ditantalum decaethoxide Synonym
- Tantalum ethylate Synonym
- Tantalum pentaethylate Synonym
- Tantalum(V) ethoxide Synonym
- Tantalum(5+) ethoxide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 227.02 g/mol | CAS Common Chemistry |
| 227.017 g/mol | RDKit | |
| 232.057 g/mol | chempirical lib | |
| Density | 1.58 g/cm³ | CAS Common Chemistry |
| 1.580 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tantalum(V)_ethoxide | CAS Common Chemistry |
| Canonical SMILES | [Ta].OCC | CAS Common Chemistry |
| InChI | InChI=1S/C2H6O.Ta/c1-2-3;/h3H,2H2,1H3; | CAS Common Chemistry |
| InChI Key | InChIKey=JVOQKOIQWNPOMI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 18-19 °C | CAS Common Chemistry |
| Name | Tantalum ethoxide | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | -0.0039000000000000146 | RDKit |
| -0.0039 | RDKit | |
| Molar Refractivity | 12.759800000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 226.989860612 g/mol | RDKit |
| Boiling Point | 145 °C @ 0.1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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 = 227.02 g/mol; density = 1.580 g/mL. Edit any field — others recompute live.
