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Molecule
Tetraethyllead
CAS: 78-00-2 · C8H20Pb
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 78-00-2
- Molecular Formula
- C8H20Pb
- Molecular Mass
- 323.45 g/mol
Identifiers
CAS Registry Number
78-00-2
SMILES
[CH2]C.[CH2]C.[CH2]C.[CH2]C.[Pb]
InChI Key
MRMOZBOQVYRSEM-UHFFFAOYSA-N
InChI
InChI=1S/4C2H5.Pb/c4*1-2;/h4*1H2,2H3;
Names and Synonyms
- Tetraethyllead Common Name
- Plumbane, tetraethyl- Synonym
- Tetraethylplumbane Synonym
- Lead, tetraethyl- Synonym
- TEL Synonym
- Tetraethyllead Synonym
- NSC 22314 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 323.45 g/mol | CAS Common Chemistry |
| 324.13315274 g/mol | RDKit | |
| 323.448 g/mol | RDKit | |
| 325.464 g/mol | chempirical lib | |
| Density | 1.65 g/cm³ | CAS Common Chemistry |
| 1.653 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tetraethyllead | CAS Common Chemistry |
| Boiling Point | 202 °C | CAS Common Chemistry |
| Canonical SMILES | CC[Pb](CC)(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/4C2H5.Pb/c4*1-2;/h4*1H2,2H3; | CAS Common Chemistry |
| InChI Key | InChIKey=MRMOZBOQVYRSEM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 133.59 °C | CAS Common Chemistry |
| Name | Tetraethyllead | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.980760000000002 | RDKit |
| 2.9808 | RDKit | |
| Molar Refractivity | 49.87800000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 323.448 g/mol | RDKit |
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
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Quick conversion
MW = 323.45 g/mol; density = 1.650 g/mL. Edit any field — others recompute live.
