1,1,2,2,3,3-hexafluoropropane

• ChemBase ID: 6507
• Molecular Formular: C3H2F6
• Molecular Mass: 152.0383992
• Monoisotopic Mass: 152.00606938
• SMILES: C(C(C(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(F)F)(F)F)F
• InChI: InChI=1S/C3H2F6/c4-1(5)3(8,9)2(6)7/h1-2H
• InChIKey: ZXVZGGVDYOBILI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,2,3,3-hexafluoropropane
• IUPAC Traditional name: 1,1,2,2,3,3-hexafluoropropane
• Synonyms: 1,1,2,2,3,3-Hexafluoropropane; 1,1,2,2,3,3-Hexafluoropropane; HFC-236ca; 1H,3H-Hexafluoropropane

Database IDs

• CAS Number: 27070-61-7
• MDL Number: MFCD02093293
• PubChem SID: 160969814
• PubChem CID: 2782376

CALCULATED PROPERTIES

• Acid pKa: 19.639149
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.8048391
• LogD (pH = 7.4): 1.8048391
• Log P: 1.8048391
• Molar Refractivity: 15.7578 cm^3
• Polarizability: 6.3084884 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 5°C
• Flash Point: none°C

Safety Information

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

Product Information

• Purity: 97%

DETAILS

Apollo Scientific Ltd - PC5581

Cylinder - 1/4" NPT connection