3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodeca-1,9-diene

• ChemBase ID: 9960
• Molecular Formular: C10H6F12
• Molecular Mass: 354.1354784
• Monoisotopic Mass: 354.02778883
• SMILES: C(=C)C(C(C(C(C(C(C=C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: C=CC(C(C(C(C(C(C=C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C10H6F12/c1-3-5(11,12)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)4-2/h3-4H,1-2H2
• InChIKey: PDFSXHZXNZCKNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodeca-1,9-diene
• IUPAC Traditional name: 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodeca-1,9-diene
• Synonyms: 1H,1H,2H,9H,10H,10H-Perfluorodeca-1,9-diene; 1,6-Divinylperfluorohexane 97%; 1,6-Divinylperfluorohexane

Database IDs

• CAS Number: 1800-91-5
• MDL Number: MFCD00077521
• PubChem SID: 160973267
• PubChem CID: 102163

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.837881
• LogD (pH = 7.4): 5.837881
• Log P: 5.837881
• Molar Refractivity: 48.3024 cm^3
• Polarizability: 17.959438 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 83.5°C/43mm; 84°C/43mm
• Flash Point: 67.5°C
• Density: 1.332; 1.506
• Refractive Index: 1.332; 1.506

Safety Information

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

Product Information

• Purity: 97%