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Home Page Flashcards 1,6-Diiodoperfluorohexane C6F12I2 structure - Flashcards

1,6-Diiodoperfluorohexane C6F12I2 structure – Flashcards

Flashcard maker : Richard Lattimore

Molecular Formula C6F12I2
Average mass 553.854 Da
Density 2.4±0.1 g/cm3
Boiling Point 185.4±8.0 °C at 760 mmHg
Flash Point 77.9±5.6 °C
Molar Refractivity 57.5±0.3 cm3
Polarizability 22.8±0.5 10-24cm3
Surface Tension 22.6±3.0 dyne/cm
Molar Volume 230.9±3.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – ChemAxon
  • Experimental Physico-chemical Properties

    • Experimental Melting Point:

      25 °C SynQuest
      25 °C Alfa Aesar
      25 °C Matrix Scientific
      25 °C Alfa Aesar B21654
      25 °C Matrix Scientific 004921
      25 °C SynQuest 9149, 1100-J-11
      25-30 °C Oakwood
      [004901]
      25-30 °C LabNetwork LN00116338

    • Experimental Boiling Point:

      115 deg C / 100 mm (189.6972 °C / 760 mmHg)
      Alfa Aesar
      115 ° / 100 mm (189.6972 °C / 760 mmHg)
      Matrix Scientific
      115 °C / 100 mm (189.6972 °C / 760 mmHg)
      Alfa Aesar B21654
      115 °C / 100 mm (189.6972 °C / 760 mmHg)
      Matrix Scientific 004921
      115 °C / 100 mmHg (189.6972 °C / 760 mmHg)
      SynQuest 9149, 1100-J-11
      173-174 °C Oakwood
      [004901]
      173-174 °C LabNetwork LN00116338

    • Experimental Flash Point:

      25 °C TCI D2333
      91 °C Oakwood
      [004901]
      91 °C LabNetwork LN00116338

    • Experimental Gravity:

      30 g/mL SynQuest 1100-J-11
      2.357 g/mL Alfa Aesar B21654
      2.357 g/mL Matrix Scientific 004921
      2.357 g/mL SynQuest 1100-J-11
      2.357 g/mL Oakwood
      [004901]

    • Experimental Refraction Index:

      1.398 Alfa Aesar B21654
      1.398 SynQuest 9149, 1100-J-11
  • Miscellaneous

    • Safety:

      CAUTION: May irritate eyes, skin, and respiratory tract Alfa Aesar B21654
      IRRITANT, LIGHT SENSITIVE Matrix Scientific 004921
      Irritant/Light Sensitive SynQuest 1100-J-11, 9149
      R36/37/38 SynQuest 1100-J-11, 9149
      Xn Abblis Chemicals AB1011071
  • Gas Chromatography

    • Retention Index (Kovats):

      1019 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.27 mm; Column length: 100 m; Column type: Capillary; Start T: 140 C; CAS no: 375804; Active phase: OV-101; Data type: Kovats RI; Authors: Boneva, S.; Kotov, St., Separation and Identification of .alpha.,.omega.-Diidoperfluoroalkanes in Gas Chromatography, Chromatographia, 25(8), 1988, 735-736., Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.27 mm; Column length: 100 m; Column type: Capillary; Start T: 150 C; CAS no: 375804; Active phase: OV-101; Data type: Kovats RI; Authors: Boneva, S.; Kotov, St., Separation and Identification of .alpha.,.omega.-Diidoperfluoroalkanes in Gas Chromatography, Chromatographia, 25(8), 1988, 735-736.) NIST Spectra nist ri
      1020 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.27 mm; Column length: 100 m; Column type: Capillary; Start T: 160 C; CAS no: 375804; Active phase: OV-101; Data type: Kovats RI; Authors: Boneva, S.; Kotov, St., Separation and Identification of .alpha.,.omega.-Diidoperfluoroalkanes in Gas Chromatography, Chromatographia, 25(8), 1988, 735-736.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module

Density: 2.4±0.1 g/cm3
Boiling Point: 185.4±8.0 °C at 760 mmHg
Vapour Pressure: 1.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.4±3.0 kJ/mol
Flash Point: 77.9±5.6 °C
Index of Refraction: 1.413
Molar Refractivity: 57.5±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 8.78
ACD/LogD (pH 5.5): 6.73
ACD/BCF (pH 5.5): 76327.98
ACD/KOC (pH 5.5): 108793.98
ACD/LogD (pH 7.4): 6.73
ACD/BCF (pH 7.4): 76327.98
ACD/KOC (pH 7.4): 108793.98
Polar Surface Area: 0 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 22.6±3.0 dyne/cm
Molar Volume: 230.9±3.0 cm3

Click to predict properties on the Chemicalize site

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