Back to Search
Tridecafluorooctyltrimethoxysilane
CAS: 85857-16-5 | C11H13F13O3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
85857-16-5
Molecular Formula:
C11H13F13O3Si
Molecular Mass:
468.28 g/mol
Names and Synonyms:
Tridecafluorooctyltrimethoxysilane
Silane, trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-
Trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
Tridecafluorooctyltrimethoxysilane
3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyltrimethoxysilane
(1H,1H,2H,2H-Perfluorooctyl)trimethoxysilane
VPS 8161
[2-(Perfluorohexyl)ethyl]trimethoxysilane
Dynasylan F 8161
Tridecafluoro-1,1,2,2-tetrahydrooctyltrimethoxysilane
TSL 8257
F 13TMS
SIT 8176.0
KBM 7603
Actyflon G 607
(Tridecafluoro-1,2,2,2-tetrahydrooctyl)-trimethoxy silane
SiSiB PC 9757
DMT 13
KH 1331
Identifiers:
SMILES:
CO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OC)OC
InChI:
InChI=1S/C11H13F13O3Si/c1-25-28(26-2,27-3)5-4-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h4-5H2,1-3H3
Key Properties
Boiling Point
60-62 °C @ Press: 0.5 Torr
CAS Common Chemistry
Density
1.44 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 | 468.28 g/mol | CAS Common Chemistry |
| 468.28200000000004 g/mol | RDKit | |
| 468.04263766599996 g/mol | RDKit | |
| Density | 1.44 g/cm³ | CAS Common Chemistry |
| 1.44 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 60-62 °C @ Press: 0.5 Torr | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](OC)(OC)OC | CAS Common Chemistry |
| InChI | InChI=1S/C11H13F13O3Si/c1-25-28(26-2,27-3)5-4-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h4-5H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BVQYIDJXNYHKRK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Tridecafluorooctyltrimethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 4.993400000000002 | RDKit |
| Molar Refractivity | 66.99500000000002 | RDKit |
