icosafluorononane

• ChemBase ID: 98797
• Molecular Formular: C9F20
• Molecular Mass: 488.064364
• Monoisotopic Mass: 487.9680644
• SMILES: FC(F)(C(F)(F)C(C(F)(F)C(C(F)(F)F)(F)F)(F)F)C(C(C(F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C9F20/c10-1(11,2(12,13)4(16,17)6(20,21)8(24,25)26)3(14,15)5(18,19)7(22,23)9(27,28)29
• InChIKey: UVWPNDVAQBNQBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: icosafluorononane
• IUPAC Traditional name: perfluorononane
• Synonyms: Perfluorononane 99%; Eicosafluorononane; Perfluorononane; 二十氟壬烷; 全氟壬烷

Database IDs

• CAS Number: 375-96-2
• MDL Number: MFCD00153254
• PubChem SID: 162085162; 24865373
• PubChem CID: 520856

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.9862165
• LogD (pH = 7.4): 6.9862165
• Log P: 6.9862165
• Molar Refractivity: 45.5452 cm^3
• Polarizability: 18.211985 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: -16°C
• Boiling Point: 125-126 °C(lit.); 125-126°C; 125-126°C
• Flash Point: none°C
• Density: 1.799; 1.799 g/mL at 25 °C(lit.)
• Refractive Index: 1.276; 1.2760; n20/D 1.276(lit.)

Safety Information

• Storage Warning: Irritant
• German water hazard class: 3
• TSCA Listed: 否
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: 97%; 99%
• Linear Formula: CF3(CF2)7CF3

DETAILS

Apollo Scientific Ltd - PC6123V

Predominantly n-isomer

Sigma Aldrich - 406414

Packaging
5, 25 mL in ampule