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Molecule
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
Identifiers
CAS Registry Number
307-34-6
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 Key
YVBBRRALBYAZBM-UHFFFAOYSA-N
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
Names and Synonyms
- Perfluorooctane Synonym
- Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluoro- Synonym
- Octane, octadecafluoro- Synonym
- 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Octadecafluorooctane Synonym
- Octadecafluorooctane Synonym
- Perfluorooctane Synonym
- Perfluoro-n-octane Synonym
- Eftop EF-L 100 Synonym
- Fluorinert PF 5080 Synonym
- FC 3280 Synonym
- PF 5080 Synonym
- Perfluoron Synonym
- PFC 71-18 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 438.05 g/mol | CAS Common Chemistry |
| 438.05199999999996 g/mol | RDKit | |
| 438.052 g/mol | RDKit | |
| Density | 1.73 g/cm³ | CAS Common Chemistry |
| 1.73 g/cm3 @ 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 |
| 5.9228 | RDKit | |
| Molar Refractivity | 41.791999999999994 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 437.97125796 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 = 438.05 g/mol; density = 1.730 g/mL. Edit any field — others recompute live.
