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Heptane,1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iodo-

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  • Name Heptane,1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iodo-
  • EINECS216-862-8
  • CAS No. 1682-31-1
  • Density1.9g/cm3
  • PSA0.00000
  • LogP4.91500
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC7H4F11I
  • Boiling Point170.5 °C at 760 mmHg
  • Molecular Weight423.996
  • Flash Point69.6 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 1682-31-1 (1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iodoheptane)
  • Hazard SymbolsN/A
  • SynonymsN/A

Heptane,1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iodo- Specification

The Heptane,1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iodo-, with CAS registry number 1682-31-1, has the systematic name of 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iodoheptane. And the chemical formula of this chemical is C7H4F11I. What's more, its EINECS is 216-862-8.

Physical properties of Heptane,1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iodo-: (1)ACD/LogP: 5.62; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.62; (4)ACD/LogD (pH 7.4): 5.62; (5)ACD/BCF (pH 5.5): 10921.49; (6)ACD/BCF (pH 7.4): 10921.49; (7)ACD/KOC (pH 5.5): 27051.5; (8)ACD/KOC (pH 7.4): 27051.5; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.358; (14)Molar Refractivity: 49.07 cm3; (15)Molar Volume: 223 cm3; (16)Polarizability: 19.45×10-24cm3; (17)Surface Tension: 18.8 dyne/cm; (18)Density: 1.9 g/cm3; (19)Flash Point: 69.6 °C; (20)Enthalpy of Vaporization: 39.02 kJ/mol; (21)Boiling Point: 170.5 °C at 760 mmHg; (22)Vapour Pressure: 1.94 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)F
(2)InChI: InChI=1/C7H4F11I/c8-3(9,1-2-19)4(10,11)5(12,13)6(14,15)7(16,17)18/h1-2H2
(3)InChIKey: KEHJVWWDDAAVHB-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C7H4F11I/c8-3(9,1-2-19)4(10,11)5(12,13)6(14,15)7(16,17)18/h1-2H2
(5)Std. InChIKey: KEHJVWWDDAAVHB-UHFFFAOYSA-N

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