1,1,1,2,2-pentafluoropropane

• ChemBase ID: 6759
• Molecular Formular: C3H3F5
• Molecular Mass: 134.047936
• Monoisotopic Mass: 134.0154912
• SMILES: C(C(C)(F)F)(F)(F)F
• Canonical SMILES: FC(C(F)(F)C)(F)F
• InChI: InChI=1S/C3H3F5/c1-2(4,5)3(6,7)8/h1H3
• InChIKey: FDOPVENYMZRARC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2-pentafluoropropane
• IUPAC Traditional name: 1,1,1,2,2-pentafluoropropane
• Synonyms: 1,1,1,2,2-Pentafluoropropane; 1,1,1,2,2-Pentafluoropropane; 1H,1H,1H-Perfluoropropane 97%

Database IDs

• CAS Number: 1814-88-6
• MDL Number: MFCD00069108
• PubChem SID: 160970066
• PubChem CID: 15747

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.8410196
• LogD (pH = 7.4): 1.8410196
• Log P: 1.8410196
• Molar Refractivity: 17.0013 cm^3
• Polarizability: 6.1507587 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -81°C; -81.1°C
• Boiling Point: -18°C; -18.3°C
• Density: 1.176

Safety Information

• Storage Warning: Flammable/Irritant; GAS
• TSCA Listed: false

Product Information

• Purity: 97%

DETAILS

Apollo Scientific Ltd - PC5702

Cylinder - 1/4" NPT connection