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Perfluoro-15-crown-5

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Name

Perfluoro-15-crown-5

EINECS N/A
CAS No. 97571-69-2 Density 1.86 g/cm3
PSA 46.15000 LogP 6.01100
Solubility N/A Melting Point -12 °C
Formula C10F20O5 Boiling Point 142.6 °C at 760 mmHg
Molecular Weight 580.075 Flash Point 45.9 °C
Transport Information N/A Appearance N/A
Safety 23-24/25-45-36/37/39-26-16 Risk Codes 11-34
Molecular Structure Molecular Structure of 97571-69-2 (Perfluoro-15-crown-5) Hazard Symbols IrritantXi, CorrosiveC, FlammableF
Synonyms

Perfluoro-15-crown-5-ether;

Article Data 4

Perfluoro-15-crown-5 Synthetic route

33100-27-5

15-crown-5

A

7621-49-0

bis-(tetrafluoro-2-pentafluoroethoxy-ethyl)-ether

B

64028-04-2

F-triethylene glycol dimethyl ether

C

64028-05-3

1,1,2,2-Tetrafluoro-1-(1,1,2,2-tetrafluoro-2-pentafluoroethyloxy-ethoxy)-2-(1,1,2,2-tetrafluoro-2-trifluoromethoxy-ethoxy)-ethane

D

97571-69-2

eicosafluoro-15-crown-5 ether

Conditions
ConditionsYield
With fluorine; sodium fluoride at -78 - 45℃;A n/a
B n/a
C n/a
D 17.9%
33100-27-5

15-crown-5

97571-69-2

eicosafluoro-15-crown-5 ether

Conditions
ConditionsYield
With fluorine; sodium fluoride at -78 - 45℃; for 280h;

Perfluoro-15-crown-5 Specification

The systematic name of Perfluoro-15-crown-5 is 2,2,3,3,5,5,6,6,8,8,9,9,11,11,12,12,14,14,15,15-icosafluoro-1,4,7,10,13-pentaoxacyclopentadecane. With the CAS registry number 97571-69-2, it is also named as 1,4,7,10,13-Pentaoxacyclopentadecane, 2,2,3,3,5,5,6,6,8,8,9,9,11,11,12,12,14,14,15,15-eicosafluoro-. The formula is C10F20O5 and molecular weight is 580.07.

The other characteristics of Perfluoro-15-crown-5 can be summarized as: (1)ACD/LogP: 12.84; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 12.84; (4)ACD/LogD (pH 7.4): 12.84; (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: 0; (12)Polar Surface Area: 46.15 Å2; (13)Index of Refraction: 1.296 ; (14)Molar Refractivity: 57.47 cm3; (15)Molar Volume: 310.3 cm3; (16)Polarizability: 22.78×10-24 cm3; (17)Surface Tension: 19 dyne/cm; (18)Density: 1.86 g/cm3; (19)Flash Point: 45.9 °C; (20)Enthalpy of Vaporization: 36.41 kJ/mol; (21)Boiling Point: 142.6 °C at 760 mmHg; (22)Vapour Pressure: 6.96 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is highly flammable, so people should keep it away from sources of ignition. And it can cause burns. When use it, people should not breathe vapour and avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
1. SMILES:FC1(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC1(F)F
2. InChI:InChI=1/C10F20O5/c11-1(12)2(13,14)32-5(19,20)6(21,22)34-9(27,28)10(29,30)35-8(25,26)7(23,24)33-4(17,18)3(15,16)31-1 
3. InChIKey:CAKZCCWLOCDNJK-UHFFFAOYAG

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