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Decyltrichlorosilane
CAS: 13829-21-5 | C10H21Cl3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13829-21-5
Molecular Formula:
C10H21Cl3Si
Molecular Mass:
275.72 g/mol
Names and Synonyms:
Decyltrichlorosilane
Silane, trichlorodecyl-
Trichlorodecylsilane
Decyltrichlorosilane
n-Decyltrichlorosilane
Trichloro(decyl)silane
Identifiers:
SMILES:
CCCCCCCCCC[Si](Cl)(Cl)Cl
InChI:
InChI=1S/C10H21Cl3Si/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h2-10H2,1H3
Key Properties
Boiling Point
133-137 °C @ Press: 5 Torr
CAS Common Chemistry
Density
1.05 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 | 275.72 g/mol | CAS Common Chemistry |
| 275.72299999999996 g/mol | RDKit | |
| 274.047810242 g/mol | RDKit | |
| Density | 1.05 g/cm³ | CAS Common Chemistry |
| 1.054 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 133-137 °C @ Press: 5 Torr | CAS Common Chemistry |
| Canonical SMILES | Cl[Si](Cl)(Cl)CCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C10H21Cl3Si/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h2-10H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HLWCOIUDOLYBGD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Decyltrichlorosilane | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 5.782400000000004 | RDKit |
| Molar Refractivity | 70.73000000000005 | RDKit |
