1,1,1,2,3-pentafluoropropane

• ChemBase ID: 93331
• Molecular Formular: C3H3F5
• Molecular Mass: 134.047936
• Monoisotopic Mass: 134.0154912
• SMILES: FC(F)(F)C(CF)F
• Canonical SMILES: FCC(C(F)(F)F)F
• InChI: InChI=1S/C3H3F5/c4-1-2(5)3(6,7)8/h2H,1H2
• InChIKey: ZDCWZRQSHBQRGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,3-pentafluoropropane
• IUPAC Traditional name: 1,1,1,2,3-pentafluoropropane
• Synonyms: 1,1,1,2,3-Pentafluoropropane 99%

Database IDs

• CAS Number: 431-31-2
• MDL Number: MFCD00236624
• PubChem SID: 162080016
• PubChem CID: 164598

CALCULATED PROPERTIES

• Acid pKa: 18.458961
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.5883678
• LogD (pH = 7.4): 1.5883678
• Log P: 1.5883678
• Molar Refractivity: 16.2897 cm^3
• Polarizability: 6.144593 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 23°C
• Density: 1.375

Safety Information

• Storage Warning: Flammable

DETAILS

Apollo Scientific Ltd - PC0638

Cylinder - 1/4" NPT connection