PERFLUORO(2,5-DIMETHYL-3,6-DIOXANONANOIC) ACID METHYL ESTER

The CAS register number of Propanoic acid,2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-,methyl ester is 26131-32-8. It also can be called as Methyl perfluoro-2,5-dimethyl-3,6-dioxanonanoate and the IUPAC name about this chemical is methyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanoate. The molecular formula about this chemical is C₁₀H₃F₁₇O₄ and the molecular weight is 510.1.

Physical properties about Propanoic acid,2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-,methyl ester are: (1)ACD/LogP: 13.64; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 13.64; (4)ACD/LogD (pH 7.4): 13.64; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 4; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 44.76 Å²; (12)Index of Refraction: 1.297; (13)Molar Refractivity: 56.15 cm³; (14)Molar Volume: 302.8 cm³; (15)Polarizability: 22.26x10^-24cm³; (16)Surface Tension: 17.1 dyne/cm; (17)Density: 1.684 g/cm³; (18)Flash Point: 104.5 °C; (19)Enthalpy of Vaporization: 49.19 kJ/mol; (20)Boiling Point: 254.4 °C at 760 mmHg; (21)Vapour Pressure: 0.0173 mmHg at 25 °C.

Preparation: this chemical can be prepared by 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propionyl fluoride and methanol. This reaction will need reagent of water. The reaction time is 1 hour with ambient temperature. The yield is about 78.8%.

Uses of Propanoic acid,2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-,methyl ester: it can be used to produce Trimethylamine(perfluoro-2,5-dimethyl-3,6-dioxanonanoyl)imide with N,N,N-trimethyl-hydrazinium; chloride. This reaction will need reagent of sodium methoxide and solvent of methanol. This reaction needs heating. The yield is about 36%.

When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact. If you want to use it, do not breathe vapour and avoid contact with skin and eyes. If you want to store it, you should keep the container tightly sealed in dry, cool places and avoid contact with oxide. What's more, if you store and use this chemical according the rule, it will not be decomposed.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(C(F)(F)OC(F)(C(F)(F)OC(F)(C(=O)OC)C(F)(F)F)C(F)(F)F)C(F)(F)F
(2)InChI: InChI=1/C10H3F17O4/c1-29-2(28)3(11,6(15,16)17)30-10(26,27)5(14,8(21,22)23)31-9(24,25)4(12,13)7(18,19)20/h1H3
(3)InChIKey: UMADKHFVSXRTGY-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C10H3F17O4/c1-29-2(28)3(11,6(15,16)17)30-10(26,27)5(14,8(21,22)23)31-9(24,25)4(12,13)7(18,19)20/h1H3
(5)Std. InChIKey: UMADKHFVSXRTGY-UHFFFAOYSA-N