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Propane,1,1,1,3,3,3-hexafluoro-2-methyl-

  • Name Propane,1,1,1,3,3,3-hexafluoro-2-methyl-
  • EINECSN/A
  • CAS No. 382-09-2
  • Density1.3 g/cm3
  • PSA0.00000
  • LogP2.74710
  • SolubilityN/A
  • Melting Point21°C
  • FormulaC4H4F6
  • Boiling Point14 °C at 760 mmHg
  • Molecular Weight166.066
  • Flash PointN/A
  • Transport InformationN/A
  • AppearanceN/A
  • Safety23
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 382-09-2 (1,1,1,3,3,3-HEXAFLUORO-2-METHYLPROPANE)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data7

Propane,1,1,1,3,3,3-hexafluoro-2-methyl- Specification

The Propane,1,1,1,3,3,3-hexafluoro-2-methyl- has CAS registry number 382-09-2. This chemical's molecular formula is C4H4F6 and molecular weight is 166.06. What's more, its systematic name is 1,1,1,3,3,3-hexafluoro-2-methylpropane. When you are using this chemical, please be cautious about it. It may cause inflammation to the skin or other mucous membranes. What's more, you should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer).

Physical properties of Propane,1,1,1,3,3,3-hexafluoro-2-methyl- are: (1)ACD/LogP: 1.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.48; (4)ACD/LogD (pH 7.4): 1.48; (5)ACD/BCF (pH 5.5): 7.9; (6)ACD/BCF (pH 7.4): 7.9; (7)ACD/KOC (pH 5.5): 152.84; (8)ACD/KOC (pH 7.4): 152.84; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.267; (14)Molar Refractivity: 21.45 cm3; (15)Molar Volume: 127.7 cm3; (16)Polarizability: 8.5×10-24cm3; (17)Surface Tension: 11.6 dyne/cm; (18)Density: 1.3 g/cm3; (19)Enthalpy of Vaporization: 25.07 kJ/mol; (20)Boiling Point: 14 °C at 760 mmHg; (21)Vapour Pressure: 1120 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C(C)C(F)(F)F
(2)Std. InChI: InChI=1S/C4H4F6/c1-2(3(5,6)7)4(8,9)10/h2H,1H3
(3)Std. InChIKey: MKIWPODDHGBZRV-UHFFFAOYSA-N

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