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330562-42-0

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Basic Information
CAS No.: 330562-42-0
Name: Methyl perfluoro-3,6,9-trioxatridecanoate
Molecular Structure:
Molecular Structure of 330562-42-0 (Methyl perfluoro-3,6,9-trioxatridecanoate)
Formula: C11H3F19O5
Molecular Weight: 576.11
Synonyms: Aceticacid, difluoro[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(nonafluorobutoxy)ethoxy]ethoxy]-,methyl ester (9CI);Methyl difluoro{1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(nonafluorobutoxy)ethoxy]ethoxy}acetate;Acetic acid,2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-Tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]-,methyl ester;
Density: 1.711 g/cm3
Boiling Point: 277.1 °C at 760 mmHg
Flash Point: 117.7 °C
Hazard Symbols: IrritantXi
PSA: 53.99000
LogP: 5.59890
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Specification

The Methyl perfluoro-3,6,9-trioxatridecanoate, with the CAS registry number 330562-42-0, is also known as Acetic acid,2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]-,methyl ester. This chemical's molecular formula is C11H3F19O5 and molecular weight is 576.11. What's more, its systematic name is methyl difluoro{1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(nonafluorobutoxy)ethoxy]ethoxy}acetate.

Physical properties of Methyl perfluoro-3,6,9-trioxatridecanoate are: (1)ACD/LogP: 15.57; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 15.57; (4)ACD/LogD (pH 7.4): 15.57; (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: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 53.99 Å2; (13)Index of Refraction: 1.299; (14)Molar Refractivity: 62.82 cm3; (15)Molar Volume: 336.6 cm3; (16)Polarizability: 24.9×10-24cm3; (17)Surface Tension: 17.6 dyne/cm; (18)Density: 1.711 g/cm3; (19)Flash Point: 117.7 °C; (20)Enthalpy of Vaporization: 51.56 kJ/mol; (21)Boiling Point: 277.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00462 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(=O)OC)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
(2)InChI: InChI=1S/C11H3F19O5/c1-32-2(31)3(12,13)33-8(23,24)9(25,26)35-11(29,30)10(27,28)34-7(21,22)5(16,17)4(14,15)6(18,19)20/h1H3
(3)InChIKey: FMEDKXCQTKWGKE-UHFFFAOYSA-N