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| CAS No.: | 307-99-3 |
|---|---|
| Name: | 1H,8H-PERFLUOROOCTANE |
| Molecular Structure: | |
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| Formula: | C8H2F16 |
| Molecular Weight: | 402.078 |
| Synonyms: | 1,8-Dihydroperfluorooctane;a,w-Dihydroperfluorooctane;1,8-Dihydrohexadecafluorooctane;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Hexadecafluorooctane;1H,8H-Perfluorooctane; |
| Density: | 1.616 g/cm3 |
| Melting Point: | 134-138 ºC |
| Boiling Point: | 140.1 ºC at 760 mmHg |
| Flash Point: | 43.2 ºC |
| Hazard Symbols: |
 Xi
|
| PSA: | 0.00000 |
| LogP: | 5.32840 |
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Specification
The Octane,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-, with the CAS registry number 3469-20-3, is also known as 1,8-Dihydrohexadecafluorooctane. This chemical's molecular formula is C8H2F16 and molecular weight is 402.08. What's more, its systematic name is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Hexadecafluorooctane.
Physical properties of Octane,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro- are: (1)ACD/LogP: 5.36; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.36; (4)ACD/LogD (pH 7.4): 5.36; (5)ACD/BCF (pH 5.5): 6976.56; (6)ACD/BCF (pH 7.4): 6976.56; (7)ACD/KOC (pH 5.5): 19627.71; (8)ACD/KOC (pH 7.4): 19627.71; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7;(12)Index of Refraction: 1.264; (13)Molar Refractivity: 41.44 cm3; (14)Molar Volume: 248.7 cm3; (15)Polarizability: 16.42×10-24 cm3; (16)Surface Tension: 12.5 dyne/cm; (17)Density: 1.616 g/cm3; (18)Flash Point: 43.2 °C; (19)Enthalpy of Vaporization: 36.18 kJ/mol; (20)Boiling Point: 140.1 °C at 760 mmHg; (21)Vapour Pressure: 7.76 mmHg at 25°C.
Preparation: this chemical can be prepared by C10H2F16O4 at the ambient temperature. This reaction will need solvent 1,1,2-trichloro-1,2,2-trifluoro-ethane with the reaction time of 2 days. The yield is about 62%.
Uses of Octane,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-: it can be used to produce fluorosulfuric acid 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-fluorosulfonyloxy-octyl ester. It will need reagents FSO2OH and NaSO3F with the reaction time of 40 hours. The yield is about 24%.
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You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(C(F)(F)C(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
(2)InChI: InChI=1S/C8H2F16/c9-1(10)3(13,14)5(17,18)7(21,22)8(23,24)6(19,20)4(15,16)2(11)12/h1-2H
(3)InChIKey: JCRVQXKRULILSR-UHFFFAOYSA-N