docosafluorodecane

• ChemBase ID: 95107
• Molecular Formular: C10F22
• Molecular Mass: 538.0718704
• Monoisotopic Mass: 537.96487084
• SMILES: FC(C(C(F)(C(F)(F)C(F)(F)C(C(F)(F)C(C(C(F)(F)F)(F)F)(F)F)(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(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C10F22/c11-1(12,3(15,16)5(19,20)7(23,24)9(27,28)29)2(13,14)4(17,18)6(21,22)8(25,26)10(30,31)32
• InChIKey: BPHQIXJDBIHMLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: docosafluorodecane
• IUPAC Traditional name: perfluorodecane
• Synonyms: Docosafluorodecane; Perfluorodecane 97%; FluorinertR(FC-84); FluorinertR(FC-70)

Database IDs

• CAS Number: 307-45-9; 86508-42-1
• MDL Number: MFCD00163646; MFCD01736060; MFCD00042367
• PubChem SID: 162081757
• PubChem CID: 120203

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.686859
• LogD (pH = 7.4): 7.686859
• Log P: 7.686859
• Molar Refractivity: 50.2132 cm^3
• Polarizability: 20.129873 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: -25°C; 36°C; -95°C
• Boiling Point: 144°C; 215°C; 80°C
• Flash Point: none°C
• Density: 1.730; 1.77; 1.940
• Refractive Index: 1.2610; 1.271; 1.3030

Safety Information

• Storage Warning: Irritant

DETAILS

Apollo Scientific Ltd - PC3312R

(Fluorinert is a registered trademark of 3M)

Apollo Scientific Ltd - PC3312G

(Fluorinert is a registered trademark of 3M)