1,1,1,3,3-pentafluoropropane

• ChemBase ID: 98509
• Molecular Formular: C3H3F5
• Molecular Mass: 134.047936
• Monoisotopic Mass: 134.0154912
• SMILES: FC(F)(F)CC(F)F
• Canonical SMILES: FC(CC(F)(F)F)F
• InChI: InChI=1S/C3H3F5/c4-2(5)1-3(6,7)8/h2H,1H2
• InChIKey: MSSNHSVIGIHOJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,3,3-pentafluoropropane
• IUPAC Traditional name: hfc-245fa
• Synonyms: 1,1,1,3,3-Pentafluoropropane; 1H,2H,2H-Perfluoropropane 98%; R-245fa; HFC-245fa; Enovate 3000; Genetron 245fa; AC1Q4KND; UNII-TA9UOF49CY; Pentafluoropropane

Database IDs

• CAS Number: 460-73-1
• MDL Number: MFCD00236696
• PubChem SID: 162084928
• PubChem CID: 68030
• Chemspider ID: 11461514
• Wikipedia Title: Pentafluoropropane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.4884037
• LogD (pH = 7.4): 1.4884037
• Log P: 1.4884037
• Molar Refractivity: 16.4313 cm^3
• Polarizability: 6.1479154 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 7.18 g/l in water
• Apperance: colorless gas
• Melting Point: -102.1°C
• Boiling Point: 15°C; 15.3°C
• Flash Point: -24.963°C (-12.9334°F)
• Auto Ignition Point: 412°C
• Density: 1.32; 1404.1 kg/m^3 (liquid at 1 bar, 0°C); 5.84 kg/m^3 (vapor at 1 bar, 15°C)
• Partition Coefficient: 1.68

Safety Information

• Storage Warning: Flammable/Irritant
• Main Hazard: Simple Asphyxiant

DETAILS

Apollo Scientific Ltd - PC5702D

Cylinder - 1/4" NPT connection