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Perfluorooctane
CAS: 307-34-6 | C8F18
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
307-34-6
Molecular Formula:
C8F18
Molecular Mass:
438.05 g/mol
Names and Synonyms:
Perfluorooctane
Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluoro-
Octane, octadecafluoro-
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Octadecafluorooctane
Octadecafluorooctane
Perfluorooctane
Perfluoro-n-octane
Eftop EF-L 100
Fluorinert PF 5080
FC 3280
PF 5080
Perfluoron
PFC 71-18
Identifiers:
SMILES:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI:
InChI=1S/C8F18/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26
Key Properties
Boiling Point
105.9 °C
CAS Common Chemistry
Melting Point
-42 °C
CAS Common Chemistry
Density
1.73 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 | 438.05 g/mol | CAS Common Chemistry |
| 438.05199999999996 g/mol | RDKit | |
| 437.97125796 g/mol | RDKit | |
| Density | 1.73 g/cm³ | CAS Common Chemistry |
| 1.73 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Perfluorooctane | CAS Common Chemistry |
| Boiling Point | 105.9 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C8F18/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26 | CAS Common Chemistry |
| InChI Key | InChIKey=YVBBRRALBYAZBM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -42 °C | CAS Common Chemistry |
| Name | Perfluorooctane | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 5.922800000000002 | RDKit |
| Molar Refractivity | 41.791999999999994 | RDKit |
