1,1,1,2,2-pentafluoroethane

• ChemBase ID: 9607
• Molecular Formular: C2HF5
• Molecular Mass: 120.021356
• Monoisotopic Mass: 119.99984113
• SMILES: FC(C(F)F)(F)F
• Canonical SMILES: FC(C(F)(F)F)F
• InChI: InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H
• InChIKey: GTLACDSXYULKMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2-pentafluoroethane
• IUPAC Traditional name: pentafluoroethane
• Synonyms: Pentafluoroethane; Pentafluoroethane; Genetron HFC 125, Khladon 125, Suva 125, Freon 125, Fc-125, R-125; 1,1,1,2,2-Pentafluoroethane; HFC-125; 1H-Pentafluoroethane 98%

Database IDs

• CAS Number: 354-33-6
• EC Number: 206-557-8
• MDL Number: MFCD00042101
• PubChem SID: 160972914
• PubChem CID: 9633
• Wikipedia Title: Pentafluoroethane

CALCULATED PROPERTIES

• Acid pKa: 18.361525
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.5929569
• LogD (pH = 7.4): 1.5929569
• Log P: 1.5929569
• Molar Refractivity: 11.9795 cm^3
• Polarizability: 4.5827928 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Colourless gas
• Melting Point: -103°C; -103.0 °C
• Boiling Point: -48.5 °C; -49°C
• Flash Point: none°C
• Density: 1.248; 1.53 g/cm^3 (liquid at -48.5 °C)

Safety Information

• Storage Warning: GAS; Irritant
• RTECS: KI6365000
• TSCA Listed: true

Product Information

• Purity: 98%

DETAILS

Apollo Scientific Ltd - PC5590

Solubility in water 0.5%. Cylinder - 1/4" NPT connection