dodecafluoropentane

• ChemBase ID: 98822
• Molecular Formular: C5F12
• Molecular Mass: 288.0343384
• Monoisotopic Mass: 287.98083864
• SMILES: FC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)F
• InChI: InChI=1S/C5F12/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)17
• InChIKey: NJCBUSHGCBERSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dodecafluoropentane
• IUPAC Traditional name: perfluoropentane
• Synonyms: Dodecafluoropentane; Perfluoropentane 97%; Perfluoropentane 99%

Database IDs

• CAS Number: 678-26-2
• MDL Number: MFCD00042081
• PubChem SID: 162085184
• PubChem CID: 12675

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.1836457
• LogD (pH = 7.4): 4.1836457
• Log P: 4.1836457
• Molar Refractivity: 26.8732 cm^3
• Polarizability: 10.541484 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -120°C
• Boiling Point: 29°C
• Density: 1.664
• Refractive Index: 1.2412

Safety Information

• Storage Warning: Irritant/Keep Cold

DETAILS

Apollo Scientific Ltd - PC6182

85% n-isomer

Apollo Scientific Ltd - PC6564

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