methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate

• ChemBase ID: 9471
• Molecular Formular: C11H3F19O2
• Molecular Mass: 528.1099808
• Monoisotopic Mass: 527.98296552
• SMILES: C(C(C(C(C(C(C(C(C(=O)OC)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F
• Canonical SMILES: COC(=O)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C11H3F19O2/c1-32-2(31)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)30/h1H3
• InChIKey: QJFHNYDPNSFJMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate
• IUPAC Traditional name: methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate
• Synonyms: Methyl perfluorodecanoate; Methyl nonadecafluorodecanoate; Methyl nonadecafluorodecanoate; Perfluorodecanoic acid methyl ester; Methyl perfluorodecanoate; Methyl perfluorodecanoate 96%; 全氟癸酸甲酯

Database IDs

• CAS Number: 307-79-9
• EC Number: 000-000-0
• MDL Number: MFCD00153211
• Beilstein Number: 1810875
• PubChem SID: 24865835; 160972778
• PubChem CID: 2733270

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.660019
• LogD (pH = 7.4): 6.660019
• Log P: 6.660019
• Molar Refractivity: 55.767 cm^3
• Polarizability: 22.274954 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 193 °C(lit.); 193°C; 193°C
• Flash Point: 113 °C; 235 °F; 81°C; 81°C(177°F)
• Density: 1.497; 1.762; 1.762 g/mL at 25 °C(lit.)
• Refractive Index: 1.3080; 1.3085; n20/D 1.308(lit.)

Safety Information

• Storage Warning: Flammable
• German water hazard class: 3
• Safety Statements: 24/25
• TSCA Listed: false; 否
• GHS Hazard statements: H227
• GHS Precautionary statements: P210-P280-P370+P378A-P403+P235-P501A

Product Information

• Purity: 90+%; 98%
• Linear Formula: CF3(CF2)8CO2CH3

DETAILS

Sigma Aldrich - 412953

Packaging
5, 25 mL in glass bottle