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CAS No.: | 377-36-6 |
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Name: | 1H,4H-OCTAFLUOROBUTANE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C4H2F8 |
Molecular Weight: | 202.047 |
Synonyms: | 1,1,2,2,3,3,4,4-Octafluorobutane;1,4-Dihydrooctafluorobutane;1,4-Dihydroperfluorobutane;1H,4H-Perfluorobutane;HFC 338pcc;a,w-Dihydroperfluorobutane; |
Density: | 1.453 g/cm3 |
Melting Point: | -79 ºC |
Boiling Point: | 41 °C at 760 mmHg |
Hazard Symbols: | Xi |
Safety: | 23 |
PSA: | 0.00000 |
LogP: | 2.78720 |
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The Butane,1,1,2,2,3,3,4,4-octafluoro-, with the CAS registry number 377-36-6, is also known as 1H,4H-Octafluorobutane. This chemical's molecular formula is C4H2F8 and molecular weight is 202.05. What's more, both its IUPAC name and systematic name are the same which is called 1,1,2,2,3,3,4,4 Octafluorobutane. Besides, this chemical may cause inflammation to the skin or other mucous membranes. During using it, do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer).
Physical properties about Butane,1,1,2,2,3,3,4,4-octafluoro- are: (1)ACD/LogP: 1.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.8; (4)ACD/LogD (pH 7.4): 1.8; (5)ACD/BCF (pH 5.5): 13.82; (6)ACD/BCF (pH 7.4): 13.82; (7)ACD/KOC (pH 5.5): 228.02; (8)ACD/KOC (pH 7.4): 228.02 ; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.247; (14)Molar Refractivity: 21.73 cm3; (15)Molar Volume: 138.9 cm3; (16)Polarizability: 8.61×10-24 cm3; (17)Surface Tension: 10.8 dyne/cm; (18)Density: 1.453 g/cm3; (19)Enthalpy of Vaporization: 27.36 kJ/mol; (20)Boiling Point: 41 °C at 760 mmHg; (21)Vapour Pressure: 426 mmHg at 25 °C.
Preparation of Butane,1,1,2,2,3,3,4,4-octafluoro-: this chemical can be prepared by 6H-Undecafluoro-hexan-2-one. This reaction needs solvent NaOH. The reaction time is 30 min. The yield is 80 %.
You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(C(F)(F)C(F)F)C(F)F
(2) InChI: InChI=1/C4H2F8/c5-1(6)3(9,10)4(11,12)2(7)8/h1-2H
(3) InChIKey: LKLFXAVIFCLZQS-UHFFFAOYAR