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330562-43-1

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Basic Information
CAS No.: 330562-43-1
Name: 1H,1H-NONAFLUORO-3,6-DIOXAHEPTAN-1-OL
Molecular Structure:
Molecular Structure of 330562-43-1 (1H,1H-NONAFLUORO-3,6-DIOXAHEPTAN-1-OL)
Formula: C5H3F9O3
Molecular Weight: 282.063
Synonyms: 2,2-Difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethanol;1H,1H-Nonafluoro-3,6-dioxaheptan-1-ol;Fluorinated diethylene glycol monomethyl ether;
Density: 1.654 g/cm3
Boiling Point: 154.5 °C at 760 mmHg
Flash Point: 79.9 °C
Hazard Symbols: IrritantXi
PSA: 38.69000
LogP: 2.31010
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Specification

The Ethanol,2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]-, with the CAS registry number 330562-43-1, is also known as Fluorinated diethylene glycol monomethyl ether. This chemical's molecular formula is C5H3F9O3 and molecular weight is 282.06. What's more, its systematic name is 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethanol.

Physical properties of Ethanol,2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]- are: (1)ACD/LogP: 5.86; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.86; (4)ACD/LogD (pH 7.4): 5.86; (5)ACD/BCF (pH 5.5): 16604.45; (6)ACD/BCF (pH 7.4): 16604.41; (7)ACD/KOC (pH 5.5): 36511; (8)ACD/KOC (pH 7.4): 36510.92; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.296; (14)Molar Refractivity: 31.57 cm3; (15)Molar Volume: 170.5 cm3; (16)Polarizability: 12.51×10-24cm3; (17)Surface Tension: 18.3 dyne/cm; (18)Density: 1.654 g/cm3; (19)Flash Point: 79.9 °C; (20)Enthalpy of Vaporization: 45.57 kJ/mol; (21)Boiling Point: 154.5 °C at 760 mmHg; (22)Vapour Pressure: 1.17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(OC(F)(F)F)C(F)(F)OC(F)(F)CO
(2)InChI: InChI=1S/C5H3F9O3/c6-2(7,1-15)16-3(8,9)4(10,11)17-5(12,13)14/h15H,1H2
(3)InChIKey: MRBIEXKSTURAOV-UHFFFAOYSA-N