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Silicic Acid (H4Sio4) Tetrakis(2-Ethylhexyl) Ester
CAS: 115-82-2 | C32H68O4Si
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
115-82-2
Molecular Formula:
C32H68O4Si
Molecular Mass:
544.98 g/mol
Names and Synonyms:
Silicic Acid (H4Sio4) Tetrakis(2-Ethylhexyl) Ester
Silicic acid (H4SiO4), tetrakis(2-ethylhexyl) ester
1-Hexanol, 2-ethyl-, silicate
Silicic acid (H4SiO4) tetrakis(2-ethylhexyl) ester
Tetra(2-ethylhexyl) orthosilicate
Tetrakis(2-ethylhexyl) silicate
Tetrakis(2-ethylhexyloxy)silane
T 1928
NSC 6136
Identifiers:
SMILES:
CCCCC(CC)CO[Si](OCC(CC)CCCC)(OCC(CC)CCCC)OCC(CC)CCCC
InChI:
InChI=1S/C32H68O4Si/c1-9-17-21-29(13-5)25-33-37(34-26-30(14-6)22-18-10-2,35-27-31(15-7)23-19-11-3)36-28-32(16-8)24-20-12-4/h29-32H,9-28H2,1-8H3
Key Properties
Boiling Point
419 °C
CAS Common Chemistry
Melting Point
328 °C (decomp)
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 | 544.98 g/mol | CAS Common Chemistry |
| 544.9780000000003 g/mol | RDKit | |
| 544.488687186 g/mol | RDKit | |
| Boiling Point | 419 °C | CAS Common Chemistry |
| Canonical SMILES | O(CC(CC)CCCC)[Si](OCC(CC)CCCC)(OCC(CC)CCCC)OCC(CC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C32H68O4Si/c1-9-17-21-29(13-5)25-33-37(34-26-30(14-6)22-18-10-2,35-27-31(15-7)23-19-11-3)36-28-32(16-8)24-20-12-4/h29-32H,9-28H2,1-8H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MQHSFMJHURNQIE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 328 °C (decomp) | CAS Common Chemistry |
| Name | Silicic acid (H4SiO4) tetrakis(2-ethylhexyl) ester | CAS Common Chemistry |
| Heavy Atom Count | 37 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 28 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 36.92 Ų | RDKit |
| LogP | 10.353999999999997 | RDKit |
| Molar Refractivity | 162.7859999999997 | RDKit |
