hexacosafluorododecane

• ChemBase ID: 98702
• Molecular Formular: C12F26
• Molecular Mass: 638.0868832
• Monoisotopic Mass: 637.95848372
• SMILES: FC(C(C(C(F)(F)C(C(C(F)(F)C(F)(F)C(C(F)(C(F)(C(F)(F)F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C12F26/c13-1(14,3(17,18)5(21,22)7(25,26)9(29,30)11(33,34)35)2(15,16)4(19,20)6(23,24)8(27,28)10(31,32)12(36,37)38
• InChIKey: WNZGTRLARPEMIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexacosafluorododecane
• IUPAC Traditional name: hexacosafluorododecane
• Synonyms: Perfluorododecane; Hexacosafluorododecane; Perfluorododecane 97%; 全氟十二烷

Database IDs

• CAS Number: 307-59-5
• EC Number: 206-204-8
• MDL Number: MFCD00042084
• Beilstein Number: 1811139
• PubChem SID: 162085086
• PubChem CID: 78973

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 9.088144
• LogD (pH = 7.4): 9.088144
• Log P: 9.088144
• Molar Refractivity: 59.5492 cm^3
• Polarizability: 23.965794 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 72-76°C; 75-77°C
• Boiling Point: 178°C; 178°C
• Flash Point: none°C
• Density: 1.5

Safety Information

• Storage Warning: Irritant
• TSCA Listed: 否

Product Information

• Purity: 97%