3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decyl prop-2-enoate

• ChemBase ID: 138240
• Molecular Formular: C14H7F19O2
• Molecular Mass: 568.1738408
• Monoisotopic Mass: 568.01426564
• SMILES: C=CC(=O)OCCC(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: C=CC(=O)OCCC(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C14H7F19O2/c1-2-5(34)35-4-3-6(15,16)8(18,19)10(22,23)12(26,27)11(24,25)9(20,21)7(17,13(28,29)30)14(31,32)33/h2H,1,3-4H2
• InChIKey: QGIJZPXLSMRDCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decyl prop-2-enoate
• IUPAC Traditional name: 3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decyl prop-2-enoate
• Synonyms: 3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-Hexadecafluoro-9-(trifluoromethyl)decyl acrylate; 3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-十六氟-9-(三氟甲基)癸基丙烯酸酯

Database IDs

• CAS Number: 15577-26-1
• EC Number: 239-633-4
• MDL Number: MFCD00236112
• PubChem SID: 162232498; 24870999
• PubChem CID: 84997

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 7.481052
• LogD (pH = 7.4): 7.481052
• Log P: 7.481052
• Molar Refractivity: 69.5805 cm^3
• Polarizability: 26.807056 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 243 °C(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 1.667 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.34(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 97%
• Contains: 100 ppm 4-tert-butylcatechol as inhibitor
• Linear Formula: H2C=CHCO2CH2CH2(CF2)6CF(CF3)2