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Tetrapropoxysilane
CAS: 682-01-9 | C12H28O4Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
682-01-9
Molecular Formula:
C12H28O4Si
Molecular Mass:
264.44 g/mol
Names and Synonyms:
Tetrapropoxysilane
Silicic acid (H4SiO4), tetrapropyl ester
Propyl silicate ((PrO)4Si)
Propyl silicate
Propyl orthosilicate
Silane, tetrapropoxy-
Tetrapropyl orthosilicate
Tetrapropoxysilane
Tetra-n-propoxysilane
Tetrapropyl silicate
Silicon tetrapropoxide
Silicon orthopropoxide
Dynasil P
N-POS
Tetra-n-propyl silicate
Tetra-n-propyl orthosilicate
SIT 7777.0
Identifiers:
SMILES:
CCCO[Si](OCCC)(OCCC)OCCC
InChI:
InChI=1S/C12H28O4Si/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-12H2,1-4H3
Key Properties
Boiling Point
226 °C
CAS Common Chemistry
Melting Point
<-80 °C
CAS Common Chemistry
Density
0.92 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 | 264.44 g/mol | CAS Common Chemistry |
| 264.43799999999993 g/mol | RDKit | |
| 264.175685906 g/mol | RDKit | |
| Density | 0.92 g/cm³ | CAS Common Chemistry |
| 0.915 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 226 °C | CAS Common Chemistry |
| Canonical SMILES | O(CCC)[Si](OCCC)(OCCC)OCCC | CAS Common Chemistry |
| InChI | InChI=1S/C12H28O4Si/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-12H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZQZCOBSUOFHDEE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <-80 °C | CAS Common Chemistry |
| Name | Tetrapropoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 36.92 Ų | RDKit |
| LogP | 3.128400000000002 | RDKit |
| Molar Refractivity | 70.72600000000006 | RDKit |
