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Diethylsilane
CAS: 542-91-6 | C4H12Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
542-91-6
Molecular Formula:
C4H12Si
Molecular Mass:
88.23 g/mol
Names and Synonyms:
Diethylsilane
Silane, diethyl-
Diethylsilane
3-Silapentane
Identifiers:
SMILES:
CC[SiH2]CC
InChI:
InChI=1S/C4H12Si/c1-3-5-4-2/h3-5H2,1-2H3
Key Properties
Boiling Point
57 °C
CAS Common Chemistry
Melting Point
-134.3 °C
CAS Common Chemistry
Density
0.68 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 | 88.23 g/mol | CAS Common Chemistry |
| 88.226 g/mol | RDKit | |
| 88.070826914 g/mol | RDKit | |
| Density | 0.68 g/cm³ | CAS Common Chemistry |
| 0.683 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 57 °C | CAS Common Chemistry |
| Canonical SMILES | CC[SiH2]CC | CAS Common Chemistry |
| InChI | InChI=1S/C4H12Si/c1-3-5-4-2/h3-5H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UCXUKTLCVSGCNR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -134.3 °C | CAS Common Chemistry |
| Name | Diethylsilane | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.0315999999999999 | RDKit |
| Molar Refractivity | 29.505999999999986 | RDKit |
