hexafluoroethane

• ChemBase ID: 97512
• Molecular Formular: C2F6
• Molecular Mass: 138.0118192
• Monoisotopic Mass: 137.99041932
• SMILES: FC(F)(F)C(F)(F)F
• Canonical SMILES: FC(C(F)(F)F)(F)F
• InChI: InChI=1S/C2F6/c3-1(4,5)2(6,7)8
• InChIKey: WMIYKQLTONQJES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexafluoroethane
• IUPAC Traditional name: hexafluoroethane
• Synonyms: Perfluoroethane (FC-116) 99.9%; Hexafluoroethane; Perfluoroethane (FC-116) 99%; CFC-116; Hexafluoroethane; Carbon hexafluoride; 1,1,1,2,2,2-Hexafluoroethane; Perfluoroethane; Ethforane; Halocarbon 116, PFC-116, CFC-116, R-116, Arcton 116, Halon 2600, UN 2193; Hexafluoroethane; 全氟乙烷; 六氟乙烷

Database IDs

• CAS Number: 76-16-4
• EC Number: 200-939-8
• MDL Number: MFCD00000428
• PubChem SID: 162084119; 24857778
• PubChem CID: 6431
• CHEBI ID: 32905
• CHEMBL: 116574
• Chemspider ID: 6191
• Wikipedia Title: Hexafluoroethane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.0817175
• LogD (pH = 7.4): 2.0817175
• Log P: 2.0817175
• Molar Refractivity: 12.8692 cm^3
• Polarizability: 4.792918 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 0.0015% in water
• Apperance: Colorless odorless gas
• Melting Point: -100 °C(lit.); -100.6 °C; -101°C
• Boiling Point: -78 °C(lit.); -78°C; -78.2 °C
• Flash Point: none°C; Non-flammable
• Density: 1.607; 1.607@-78°C; 5.734 kg.m^-3 at 24 °C
• Vapor Pressure: 2.967 MPa at 20.1 °C3.0701 MPa at 21 °C; 430 psi ( 21 °C)
• Vapor Density: 4.7 (vs air)
• Partition Coefficient: 2

Safety Information

• Storage Warning: Irritant
• RTECS: KI4110000
• UN Number: 2193
• German water hazard class: 3
• Hazard Class: 2.2
• GHS Pictograms: GHS04
• GHS Signal Word: Warning
• NFPA704:
  

  0

  1

  0
• GHS Hazard statements: H280
• GHS Precautionary statements: P410 + P403
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 2193 2.2

Product Information

• Purity: ≥98%
• Linear Formula: CF3CF3

DETAILS

Apollo Scientific Ltd - PC7201

Cylinder - CGA 350 connection

Apollo Scientific Ltd - PC4680

Cylinder - CGA 350 connection

Sigma Aldrich - 295361

Packaging
227 g in steel cylinder
Recommended products
Brass control valve Z146943 or either of brass regulators Z146706 and Z146714 is recommended.