decafluorobutane

• ChemBase ID: 6973
• Molecular Formular: C4F10
• Molecular Mass: 238.026832
• Monoisotopic Mass: 237.9840322
• SMILES: C(C(C(C(F)(F)F)(F)F)(F)F)(F)(F)F
• Canonical SMILES: FC(C(C(F)(F)F)(F)F)(C(F)(F)F)F
• InChI: InChI=1S/C4F10/c5-1(6,3(9,10)11)2(7,8)4(12,13)14
• InChIKey: KAVGMUDTWQVPDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: decafluorobutane
• IUPAC Traditional name: decafluorobutane; perfluorobutane
• Synonyms: Perfluoro-n-butane; Decafluorobutane; Perfluorobutane (FC-31-10) 98%; Decafluorobutane (DFB); Perflubutane (USAN); Halocarbon 610; R610; Perfluorobutane

Database IDs

• CAS Number: 355-25-9
• MDL Number: MFCD00042080
• PubChem SID: 160970280
• PubChem CID: 9638
• KEGG ID: D05440
• Wikipedia Title: Perfluorobutane

CALCULATED PROPERTIES

• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.483003
• LogD (pH = 7.4): 3.483003
• Log P: 3.483003
• Molar Refractivity: 22.2052 cm^3
• Polarizability: 8.6244545 Å^3

PROPERTIES

Physical Property

• Solubility: 1.5 mg/L (101.3 kPa) in water
• Melting Point: -128°C; -84.5°C
• Boiling Point: -1.7°C; -2°C
• Flash Point: none°C
• Density: 1.517; 11.21 kg/m^3 (gas, 101.3 kPa at boiling point); 1594 kg/m^3 (liquid, 101.3 kPa at boiling point)
• Vapor Pressure: 330.3 kPa (at 25 °C)
• Partition Coefficient: > 3.93 (n-octanol/water)
• Viscosity: 0.0001218 Poise

Safety Information

• Storage Warning: GAS; Irritant
• TSCA Listed: true

Product Information

• Purity: 97%

DETAILS

Apollo Scientific Ltd - PC5884

Cylinder - 1/4" NPT connection