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CAS No.: | 2070-70-4 |
---|---|
Name: | Perfluoro(4-methylpent-2-ene) |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C6F12 |
Molecular Weight: | 300.047 |
Synonyms: | 1,1,1,2,3,4,5,5,5-Nonafluoro-4-trifluoromethyl-2-pentene;4-Trifluoromethyl-1,1,1,2,3,4,5,5,5-nonafluoropent-2-ene;FOL 62;2-Pentene,nonafluoro-4-(trifluoromethyl)- (6CI,7CI);Perfluoro-4-methyl-2-pentene; |
EINECS: | -0 |
Density: | 1.61 g/cm3 |
Melting Point: | 48-50 °C |
Boiling Point: | 59.26 °C at 760 mmHg |
Flash Point: | 0.081 °C |
Solubility: | insoluble |
Hazard Symbols: | Xi |
Risk Codes: | F:Flammable; "> F:Flammable; |
Safety: | 23-24/25 |
PSA: | 0.00000 |
LogP: | 4.53220 |
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The Perfluoro(4-methylpent-2-ene), with the CAS registry number 2070-70-4, is also known as 4-Trifluoromethyl-1,1,1,2,3,4,5,5,5-nonafluoropent-2-ene. This chemical's molecular formula is C6F12 and molecular weight is 300.05. What's more, its systematic name is 1,1,1,2,3,4,5,5,5-Nonafluoro-4-(trifluoromethyl)-2-pentene. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides. You should not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer). When using it, you must avoid contact with skin and eyes.
Physical properties of Perfluoro(4-methylpent-2-ene) are: (1)ACD/LogP: 4.966; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.97; (4)ACD/LogD (pH 7.4): 4.97; (5)ACD/BCF (pH 5.5): 3500.44; (6)ACD/BCF (pH 7.4): 3500.44; (7)ACD/KOC (pH 5.5): 11980.57; (8)ACD/KOC (pH 7.4): 11980.57; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.268; (13)Molar Refractivity: 31.417 cm3; (14)Molar Volume: 186.359 cm3; (15)Polarizability: 12.455×10-24cm3; (16)Surface Tension: 11.7 dyne/cm; (17)Density: 1.61 g/cm3; (18)Flash Point: 0.081 °C; (19)Enthalpy of Vaporization: 28.931 kJ/mol; (20)Boiling Point: 59.26 °C at 760 mmHg; (21)Vapour Pressure: 215.4 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(=C(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
(2)Std. InChI: InChI=1S/C6F12/c7-1(2(8)4(10,11)12)3(9,5(13,14)15)6(16,17)18
(3)Std. InChIKey: SAPOZTRFWJZUFT-UHFFFAOYSA-N