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Octafluoropropane
CAS: 76-19-7 | C3F8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
76-19-7
Molecular Formula:
C3F8
Molecular Mass:
188.02 g/mol
Names and Synonyms:
Octafluoropropane
Propane, 1,1,1,2,2,3,3,3-octafluoro-
Propane, octafluoro-
1,1,1,2,2,3,3,3-Octafluoropropane
Octafluoropropane
Freon 218
Perfluoropropane
Genetron 218
R 218
FC 218
FC 218 (refrigerant)
HFC 218
FS 069
PFC 218
Perflutren
Definity
Optison
Meforex 218
DMP 115
MRX 115
UN 2424
F 218
MRH 815H
YM 454
Khladon 218
Identifiers:
SMILES:
FC(F)(F)C(F)(F)C(F)(F)F
InChI:
InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11
Key Properties
Boiling Point
-36.6 °C
CAS Common Chemistry
Melting Point
-147.6 °C
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 | 188.02 g/mol | CAS Common Chemistry |
| 188.017 g/mol | RDKit | |
| 187.98722576 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Octafluoropropane | CAS Common Chemistry |
| Boiling Point | -36.6 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C(F)(F)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11 | CAS Common Chemistry |
| InChI Key | InChIKey=QYSGYZVSCZSLHT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -147.6 °C | CAS Common Chemistry |
| Name | Perfluoropropane | CAS Common Chemistry |
| Octafluoropropane | CAS Common Chemistry | |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.7462999999999997 | RDKit |
| Molar Refractivity | 17.057000000000002 | RDKit |
