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Molecule
Perfluorobutane
CAS: 355-25-9 · C4F10
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 355-25-9
- Molecular Formula
- C4F10
- Molecular Mass
- 238.02 g/mol
Identifiers
CAS Registry Number
355-25-9
SMILES
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI Key
KAVGMUDTWQVPDF-UHFFFAOYSA-N
InChI
InChI=1S/C4F10/c5-1(6,3(9,10)11)2(7,8)4(12,13)14
Names and Synonyms
- Perfluorobutane Synonym
- Butane, 1,1,1,2,2,3,3,4,4,4-decafluoro- Synonym
- Butane, decafluoro- Synonym
- 1,1,1,2,2,3,3,4,4,4-Decafluorobutane Synonym
- Perfluorobutane Synonym
- Decafluorobutane Synonym
- FC 3110 Synonym
- CEA 410 Synonym
- Sonazoid Synonym
- NC 100100 Synonym
- PF 5040 Synonym
- Perflubutane Synonym
- AI 700 Synonym
- PFC 31-10 Synonym
- R 3110 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 238.02 g/mol | CAS Common Chemistry |
| 238.02399999999997 g/mol | RDKit | |
| 238.024 g/mol | RDKit | |
| Density | 0.63 g/cm³ | CAS Common Chemistry |
| 0.63 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Perfluorobutane | CAS Common Chemistry |
| Boiling Point | -1.9 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C4F10/c5-1(6,3(9,10)11)2(7,8)4(12,13)14 | CAS Common Chemistry |
| InChI Key | InChIKey=KAVGMUDTWQVPDF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -128.2 °C | CAS Common Chemistry |
| Name | Perfluorobutane | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.3815999999999997 | RDKit |
| 3.3816 | RDKit | |
| Molar Refractivity | 22.004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 237.9840322 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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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Quick conversion
MW = 238.02 g/mol; density = 0.630 g/mL. Edit any field — others recompute live.
