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Molecule
Trichloropentylsilane
CAS: 107-72-2 · C5H11Cl3Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 107-72-2
- Molecular Formula
- C5H11Cl3Si
- Molecular Mass
- 205.59 g/mol
Identifiers
CAS Registry Number
107-72-2
SMILES
CCCCC[Si](Cl)(Cl)Cl
InChI Key
KWDQAHIRKOXFAV-UHFFFAOYSA-N
InChI
InChI=1S/C5H11Cl3Si/c1-2-3-4-5-9(6,7)8/h2-5H2,1H3
Names and Synonyms
- Trichloropentylsilane Common Name
- Silane, trichloropentyl- Synonym
- Trichloropentylsilane Synonym
- Amyltrichlorosilane Synonym
- Pentylsilicon trichloride Synonym
- Trichloroamylsilane Synonym
- Pentyltrichlorosilane Synonym
- n-Pentyltrichlorosilane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 205.59 g/mol | CAS Common Chemistry |
| 205.58800000000002 g/mol | RDKit | |
| 205.588 g/mol | RDKit | |
| 205.579 g/mol | chempirical lib | |
| Density | 1.13 g/cm³ | CAS Common Chemistry |
| 1.1330 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 172 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Si](Cl)(Cl)CCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C5H11Cl3Si/c1-2-3-4-5-9(6,7)8/h2-5H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KWDQAHIRKOXFAV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Trichloropentylsilane | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.831900000000002 | RDKit |
| 3.8319 | RDKit | |
| 4.14 | chempirical lib | |
| Molar Refractivity | 47.645000000000024 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 203.969559922 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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MW = 205.59 g/mol; density = 1.130 g/mL. Edit any field — others recompute live.
