1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexane

• ChemBase ID: 9140
• Molecular Formular: C6HF13
• Molecular Mass: 320.0513816
• Monoisotopic Mass: 319.98706689
• SMILES: C(C(C(C(C(C(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)F
• InChI: InChI=1S/C6HF13/c7-1(8)2(9,10)3(11,12)4(13,14)5(15,16)6(17,18)19/h1H
• InChIKey: XJSRKJAHJGCPGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexane
• IUPAC Traditional name: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexane
• Synonyms: 1H-Perfluorohexane; 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluorohexane; 1H-Tridecafluorohexane 98%; 1H-Perfluorohexane; 1H-全氟己烷

Database IDs

• CAS Number: 355-37-3
• EC Number: 206-581-9
• MDL Number: MFCD00142632
• Beilstein Number: 1799000
• PubChem SID: 160972447
• PubChem CID: 67730

CALCULATED PROPERTIES

• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 19.786736
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.395528
• LogD (pH = 7.4): 4.395528
• Log P: 4.395528
• Molar Refractivity: 30.6515 cm^3
• Polarizability: 12.255487 Å^3

PROPERTIES

Physical Property

• Boiling Point: 70°C; 70-71°C; 71°C
• Flash Point: >110°C; None
• Density: 1.6843; 1.685
• Refractive Index: <1.3; <1.300; 1.3000

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false; 否

Product Information

• Purity: 97%; 98%