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CAS No.: | 330562-44-2 |
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Name: | 1H,1H,11H,11H-PERFLUORO-3,6,9-TRIOXAUNDECANE-1,11-DIOL |
Molecular Structure: | |
Formula: | C8H6F12O5 |
Molecular Weight: | 410.113 |
Synonyms: | AC1MCSOK;2,2'-{Oxybis[(1,1,2,2-tetrafluoroethane-2,1-diyl)oxy]}bis(2,2-difluoroethanol);1H,1H,11H,11H-Perfluoro-3,6,9-trioxaundecane-1,11-diol;Fluorinated tetraethylene glycol;2-[2-[2-(1,1-Difluoro-2-hydroxyethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethanol; |
Density: | 1.706 g/cm3 |
Melting Point: | 40-42 °C |
Boiling Point: | 343.8 °C at 760 mmHg |
Flash Point: | 160 °C |
Hazard Symbols: | Xi |
PSA: | 68.15000 |
LogP: | 2.57760 |
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The Ethanol,2,2'-[oxybis[(1,1,2,2-tetrafluoro-2,1-ethanediyl)oxy]]bis[2,2-difluoro-, with the CAS registry number 330562-44-2, is also known as 1H,1H,11H,11H-Perfluoro-3,6,9-trioxaundecane-1,11-diol. This chemical's molecular formula is C8H6F12O5 and molecular weight is 410.11. What's more, its IUPAC name is 2-[2-[2-(1,1-difluoro-2-hydroxyethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethanol.
Physical properties of Ethanol,2,2'-[oxybis[(1,1,2,2-tetrafluoro-2,1-ethanediyl)oxy]]bis[2,2-difluoro- are: (1)ACD/LogP: 8.65; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.65; (4)ACD/LogD (pH 7.4): 8.65; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1216139.38; (8)ACD/KOC (pH 7.4): 1216135.38; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 46.15 Å2; (13)Index of Refraction: 1.331; (14)Molar Refractivity: 49.17 cm3; (15)Molar Volume: 240.3 cm3; (16)Polarizability: 19.49×10-24cm3; (17)Surface Tension: 23.2 dyne/cm; (18)Density: 1.706 g/cm3; (19)Flash Point: 160 °C; (20)Enthalpy of Vaporization: 68.07 kJ/mol; (21)Boiling Point: 343.8 °C at 760 mmHg; (22)Vapour Pressure: 4.39E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(C(OC(C(OC(C(OC(CO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
(2)InChI: InChI=1S/C8H6F12O5/c9-3(10,1-21)23-5(13,14)7(17,18)25-8(19,20)6(15,16)24-4(11,12)2-22/h21-22H,1-2H2
(3)InChIKey: BFMDZOWJRVLYPB-UHFFFAOYSA-N