octadecafluorooctane

• ChemBase ID: 8868
• Molecular Formular: C8F18
• Molecular Mass: 438.0568576
• Monoisotopic Mass: 437.97125796
• SMILES: C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)F
• Canonical SMILES: FC(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(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
• InChIKey: YVBBRRALBYAZBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octadecafluorooctane
• IUPAC Traditional name: perfluorooctane
• Synonyms: Perfluorooctane; Octadecafluoro-n-octane; Perfluorooctane 90%; Perfluorooctane 98%; Perfluorooctane; Perfluoro-n-octane; PF5080; Perfluorooctane fraction; Octadecafluorooctane Fraction; Octadecafluorooctane; Perfluorooctane 99%; 十八氟辛烷; 全氟辛烷; 全氟正辛烷; 全氟辛烷分馏物; 十八氟辛烷分馏物

Database IDs

• CAS Number: 307-34-6; 156930-33-5
• EC Number: 206-199-2
• MDL Number: MFCD00042083
• Beilstein Number: 1717142
• PubChem SID: 24862060; 160972175; 24887175
• PubChem CID: 9387
• CHEBI ID: 38826
• Chemspider ID: 9018
• Unique Ingredient Identifier: 6P60ZBK0QL
• Wikipedia Title: Perfluorooctane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.2855735
• LogD (pH = 7.4): 6.2855735
• Log P: 6.2855735
• Molar Refractivity: 40.8772 cm^3
• Polarizability: 16.294165 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: -25 °C; -25 °C(lit.)
• Boiling Point: 100°C; 103-104 °C; 103-104 °C(lit.); 103-106 °C(lit.); 99-100°C; 99-100°C; 99-105°C
• Flash Point: none°C
• Density: 1.5 g/ml; 1.73; 1.730; 1.766 g/mL; 1.766 g/mL at 25 °C(lit.)
• Refractive Index: 1.282; 1.2820; n20/D 1.3(lit.)

Safety Information

• Storage Warning: IRRITANT; Irritant
• RTECS: RG9701000
• German water hazard class: 3
• Safety Statements: S23 S24/25
• TSCA Listed: false; 是
• Personal Protective Equipment: Eyeshields, Gloves; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: ≥97.0% (GC); 98%; 99+%
• Compostion: C5-, C6-, C7-homologues, ~30%; octadecafluorooctane, ~70%
• Linear Formula: CF3(CF2)6CF3

DETAILS

MP Biomedicals - 05224381

MP Biomedicals Rare Chemical collection

Apollo Scientific Ltd - PC6140A

Solvent with ability to solubilise molecular oxygen e.g.photooxidation of alkene / epoxidation of alkenes.Synth. Commun., 26, 1861 (1996), ibid 27, 447 (1997).. Mixed isomers

Sigma Aldrich - 359238

Packaging
25, 100 g in glass bottle

Sigma Aldrich - 77286

Packaging
50 mL in glass bottle

REFERENCES

• Reaction medium with substantial capacity to solubilize molecular oxygen as in the photooxidation of alkenes: Synth. Commun., 26, 1861 (1996), or the high yield epoxidation of alkenes in the presence of trimethylacetaldehyde: Synth. Commun., 27, 447 (1997).