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129301-42-4

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Basic Information
CAS No.: 129301-42-4
Name: 1H,1H,8H,8H-OCTAFLUORO-3,6-DIOXAOCTANE-1,8-DIOL
Molecular Structure:
Molecular Structure of 129301-42-4 (1H,1H,8H,8H-OCTAFLUORO-3,6-DIOXAOCTANE-1,8-DIOL)
Formula: C6H6F8O4
Molecular Weight: 294.098
Synonyms: Fluorinated triethylene glycol;
Density: 1.642 g/cm3
Melting Point: 67-68 °C
Boiling Point: 299.6 °C at 760 mmHg
Flash Point: 142.6 °C
Hazard Symbols: IrritantXi
PSA: 58.92000
LogP: 1.37540
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Specification

The Ethanol,2,2'-[(1,1,2,2-tetrafluoro-1,2-ethanediyl)bis(oxy)]bis[2,2-difluoro-, with the CAS registry number of 129301-42-4, is also known as Fluorinated triethylene glycol. Its molecular formula is C6H6F8O4 and molecular weight is 294.1. What's more, its IUPAC name is 2-[2-(1,1-Difluoro-2-hydroxyethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethanol.

Physical properties about the Ethanol,2,2'-[(1,1,2,2-tetrafluoro-1,2-ethanediyl)bis(oxy)]bis[2,2-difluoro- are: (1)ACD/LogP: 4.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.72; (4)ACD/LogD (pH 7.4): 4.72; (5)ACD/BCF (pH 5.5): 2264.56; (6)ACD/BCF (pH 7.4): 2264.56; (7)ACD/KOC (pH 5.5): 8771.91; (8)ACD/KOC (pH 7.4): 8771.88; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 36.92 Å2; (13)Index of Refraction: 1.34; (14)Molar Refractivity: 37.57 cm3; (15)Molar Volume: 179 cm3; (16)Surface Tension: 24.9 dyne/cm; (17)Density: 1.642 g/cm3; (18)Flash Point: 142.6 °C; (19)Boiling Point: 299.6 °C at 760 mmHg; (20)Vapour Pressure: 0.000118 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(OC(F)(F)CO)C(F)(F)OC(F)(F)CO
(2) InChI: InChI=1/C6H6F8O4/c7-3(8,1-15)17-5(11,12)6(13,14)18-4(9,10)2-16/h15-16H,1-2H2
(3) InChIKey: CWIAFBQLWOMNFY-UHFFFAOYAU