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Tantalum(V) Ethoxide
CAS: 6074-84-6 | C2H6OTa
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6074-84-6
Molecular Formula:
C2H6OTa
Molecular Mass:
227.02 g/mol
Names and Synonyms:
Tantalum(V) Ethoxide
Ethanol, tantalum(5+) salt (5:1)
Ethyl alcohol, tantalum(5+) salt
Ethanol, tantalum(5+) salt
Tantalum ethoxide
Pentaethoxytantalum
Pentaethyl tantalate
Tantalum pentaethoxide
Tantalum pentethoxide
Ditantalum decaethoxide
Tantalum ethylate
Tantalum pentaethylate
Tantalum(V) ethoxide
Tantalum(5+) ethoxide
Identifiers:
SMILES:
CCO.[Ta]
InChI:
InChI=1S/C2H6O.Ta/c1-2-3;/h3H,2H2,1H3;
Key Properties
Boiling Point
145 °C @ Press: 0.1 Torr
CAS Common Chemistry
Melting Point
18-19 °C
CAS Common Chemistry
Density
1.58 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 | 227.02 g/mol | CAS Common Chemistry |
| 227.017 g/mol | RDKit | |
| 226.989860612 g/mol | RDKit | |
| 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 |
| Boiling Point | 145 °C @ Press: 0.1 Torr | 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 |
| Tantalum(V) 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 |
| Molar Refractivity | 12.759800000000002 | RDKit |
