prop-1-ene; tetrafluoroethene

• ChemBase ID: 137468
• Molecular Formular: C5H6F4
• Molecular Mass: 142.0947528
• Monoisotopic Mass: 142.04056307
• SMILES: CC=C.C(=C(F)F)(F)F
• Canonical SMILES: FC(=C(F)F)F.CC=C
• InChI: InChI=1S/C3H6.C2F4/c1-3-2;3-1(4)2(5)6/h3H,1H2,2H3
• InChIKey: XIUFWXXRTPHHDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: prop-1-ene; tetrafluoroethene
• IUPAC Traditional name: propylene; tetrafluoroethylene
• Synonyms: Poly(propylene-co-tetrafluoroethylene); 聚(丙烯-co-四氟乙烯)

Database IDs

• CAS Number: 27029-05-6
• MDL Number: MFCD00284288
• PubChem SID: 162231730
• PubChem CID: 19795055

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.4651088
• LogD (pH = 7.4): 1.4651088
• Log P: 1.4651088
• Molar Refractivity: 32.235 cm^3
• Polarizability: 4.1718287 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.55 g/mL at 25 °C(lit.)
• Viscosity: 35(121 °C, Mooney, ML 1+10)(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Compostion: fluorine, 57 wt. %
• Hardness: 73 (Shore A)
• Linear Formula: [-CH2CH(CH3)-]x(-CF2CF2-)y