METHYL PERFLUOROOCTANOATE

The Octanoic acid,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-, methyl ester, with the CAS registry number 376-27-2 and EINECS registry number 206-808-1, has the systematic name of methyl pentadecafluorooctanoate. It is a kind of clear colorless liquid, and belongs to the following product categories: Fluorous Chemistry; Fluorous Compounds; Synthetic Organic Chemistry. And the molecular formula of the chemical is C₉H₃F₁₅O₂. What's more, while dealing with this chemical, you should avoid contacting with skin and eyes.

The characteristics of Octanoic acid,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-, methyl ester are as followings: (1)ACD/LogP: 6.85; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.85; (4)ACD/LogD (pH 7.4): 6.85; (5)ACD/BCF (pH 5.5): 94788.59; (6)ACD/BCF (pH 7.4): 94788.59; (7)ACD/KOC (pH 5.5): 127040.28; (8)ACD/KOC (pH 7.4): 127040.28; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.29; (14)Molar Refractivity: 47.73 cm³; (15)Molar Volume: 262.6 cm³; (16)Polarizability: 18.92×10^-24cm³; (17)Surface Tension: 15.7 dyne/cm; (18)Density: 1.63 g/cm³; (19)Flash Point: 45.5 °C; (20)Enthalpy of Vaporization: 39.47 kJ/mol; (21)Boiling Point: 158 °C at 760 mmHg; (22)Vapour Pressure: 2.68 mmHg at 25°C.

Uses of Octanoic acid,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-, methyl ester: It can react with 3,3-dimethyl-butan-2-one to produce 1H,1H,1H,2H,2H,4H,4H-pentadecafluoro-2,2-dimethyl-dodecane-3,5-dione. This reaction will need reagent NaH, and the menstruum diethyl ether. And the yield is about 92%. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(C(F)(F)C(=O)OC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
(2)InChI: InChI=1/C9H3F15O2/c1-26-2(25)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h1H3
(3)InChIKey: XOCNYZFAMHDXJK-UHFFFAOYAL