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| CAS No.: | 1584-03-8 |
|---|---|
| Name: | Perfluoro-2-methyl-2-pentene |
| Molecular Structure: | |
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| Formula: | C6F12 |
| Molecular Weight: | 300.047 |
| Synonyms: | 2-Pentene,nonafluoro-2-(trifluoromethyl)- (6CI,7CI);1,1,1,3,4,4,5,5,5-Nonafluoro-2-(trifluoromethyl)-2-pentene;2-(Trifluoromethyl)nonafluoro-2-pentene;2-(Trifluoromethyl)perfluoro-2-pentene;Perfluoro(1-ethyl-2-methyl-1-propene);Perfluoro(2-methyl-2-pentene); |
| EINECS: | 216-436-1 |
| Density: | 1.61 g/cm3 |
| Melting Point: | 48-50 °C |
| Boiling Point: | 56.999 °C at 760 mmHg |
| Flash Point: | 3.764 °C |
| Solubility: | Insoluble in water |
| Appearance: | clear colourless to light yellow liquid |
| Hazard Symbols: |
 F
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| Risk Codes: | 11 |
| Safety: | 16 |
| Transport Information: | UN 1993 |
| PSA: | 0.00000 |
| LogP: | 4.53220 |
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Specification
This chemical is called Perfluoro-2-methyl-2-pentene, and its IUPAC Name is 1,1,1,3,4,4,5,5,5-nonafluoro-2-(trifluoromethyl)pent-2-ene. With the molecular formula C6F12, its molecular weight is 300.05. The CAS registry number of this chemical is 1584-03-8. In additon, this chemical is clear colourless to light yellow liquid, and it should be stored in the sealed container.
Other characteristics of the Perfluoro-2-methyl-2-pentene can be summarised as followings: (1)ACD/LogP: 4.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.51; (4)ACD/LogD (pH 7.4): 4.51; (5)ACD/BCF (pH 5.5): 1584.54; (6)ACD/BCF (pH 7.4): 1584.54; (7)ACD/KOC (pH 5.5): 6793.44; (8)ACD/KOC (pH 7.4): 6793.44; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.268; (14)Molar Refractivity: 31.41 cm3; (15)Molar Volume: 186.3 cm3; (16)Polarizability: 12.45×10-24cm3; (17)Surface Tension: 11.7 dyne/cm; (18)Density: 1.61 g/cm3; (19)Flash Point: 3.8 °C; (20)Enthalpy of Vaporization: 28.73 kJ/mol; (21)Boiling Point: 57 °C at 760 mmHg; (22)Vapour Pressure: 235 mmHg at 25°C.
Production method of this chemical: The Perfluoro-2-methyl-2-pentene could be obtained by the reactant of hexafluoropropene, the reagent of pentafluoro-trifluoromethyl-benzene, CsF and the solvent of tetrahydrothiophene 1,1-dioxide. In addition, this reaction should be taken for 13 hours.
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Uses of this chemical: The 4H-undecafluoro-4-trifluoromethyl-pentane could be obtained by the reagent of fluorine and NiF2, and the yield is 88 %. In addition, this reaction should be taken at the temperature of 100°C.
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When you are using this chemical, please be cautious about it as the following: This Perfluoro-2-methyl-2-pentene is flammable, so keep this chemical away from sources of ignition. Do not drop this chemical into drains and take precautionary measures against static discharges.
You can still convert the following datas into molecular structure:
(1)SMILES: F\C(=C(\C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
(2)InChI: InChI=1/C6F12/c7-2(3(8,9)6(16,17)18)1(4(10,11)12)5(13,14)15
(3)InChIKey: FAEGGADNHFKDQX-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C6F12/c7-2(3(8,9)6(16,17)18)1(4(10,11)12)5(13,14)15
(5)Std. InChIKey: FAEGGADNHFKDQX-UHFFFAOYSA-N