Back to Search
Molecule
Niobium(V) Ethoxide
CAS: 3236-82-6 · C2H6NbO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3236-82-6
- Molecular Formula
- C2H6NbO
- Molecular Mass
- 138.98 g/mol
Identifiers
CAS Registry Number
3236-82-6
SMILES
CCO.[Nb]
InChI Key
ZNULOBXNTNSWBE-UHFFFAOYSA-N
InChI
InChI=1S/C2H6O.Nb/c1-2-3;/h3H,2H2,1H3;
Names and Synonyms
- Niobium(V) Ethoxide Common Name
- Ethanol, niobium(5+) salt (5:1) Synonym
- Ethyl alcohol, niobium(5+) salt Synonym
- Ethanol, niobium(5+) salt Synonym
- Niobium ethoxide (Nb(OEt)5) Synonym
- Niobium pentaethoxide Synonym
- Niobium(V) ethoxide Synonym
- Pentaethoxyniobium Synonym
- Diniobium decaethoxide Synonym
- Pentakis(ethoxy)niobium Synonym
- Niobium ethoxide Nb(OC2H5)5 Synonym
- Nb 05 Synonym
- Nb 05 (salt) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 138.98 g/mol | CAS Common Chemistry |
| 138.97500000000002 g/mol | RDKit | |
| 138.975 g/mol | RDKit | |
| 141.999 g/mol | chempirical lib | |
| Density | 1.26 g/cm³ | CAS Common Chemistry |
| 1.258 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Niobium(V)_ethoxide | CAS Common Chemistry |
| Canonical SMILES | [Nb].OCC | CAS Common Chemistry |
| InChI | InChI=1S/C2H6O.Nb/c1-2-3;/h3H,2H2,1H3; | CAS Common Chemistry |
| InChI Key | InChIKey=ZNULOBXNTNSWBE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 5-6 °C | CAS Common Chemistry |
| Name | Niobium pentaethoxide | 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 | 138.948242912 g/mol | RDKit |
| Boiling Point | 142 °C @ 0.1 Torr | CAS Common Chemistry |
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
Convert
Quick conversion
MW = 138.98 g/mol; density = 1.260 g/mL. Edit any field — others recompute live.
