ChemSpider 2D Image | 1,2-diiodoperfluoroethane | C2F4I2

1,2-diiodoperfluoroethane

  • Molecular FormulaC2F4I2
  • Average mass353.824 Da
  • Monoisotopic mass353.802521 Da
  • ChemSpider ID61039

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,1,2,2-Tetrafluor-1,2-diiodethan [German] [ACD/IUPAC Name]
1,1,2,2-Tetrafluoro-1,2-diiodoethane [ACD/IUPAC Name]
1,1,2,2-Tétrafluoro-1,2-diiodoéthane [French] [ACD/IUPAC Name]
1,2-diiodoperfluoroethane
1,2-DIIODOTETRAFLUOROETHANE
206-567-2 [EINECS]
354-65-4 [RN]
Ethane, 1,1,2,2-tetrafluoro-1,2-diiodo- [ACD/Index Name]
1,1,2,2-tetrafluoro-1,2-diiodo-ethane
1,2-Diiodotetrafluoroethane|Tetrafluoro-1,2-diiodoethane
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2Z13I2WELK [DBID]
MFCD00039401 [DBID]
UNII:2Z13I2WELK [DBID]
UNII-2Z13I2WELK [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      26-37 Alfa Aesar A10954
      36/37/38 Alfa Aesar A10954
      H315-H319-H335 Alfa Aesar A10954
      P261-P280-P305+P351+P338-P304+P340-P405-P501a Alfa Aesar A10954
      Warning Alfa Aesar A10954
      WARNING: Irritates lungs, eyes, skin Alfa Aesar A10954
  • Gas Chromatography

    • Retention Index (Kovats):

      790 (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: 354654; 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
      791 (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: 354654; 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
      794 (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: 354654; 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, version: 14.00

Density: 2.9±0.1 g/cm3
Boiling Point: 111.0±8.0 °C at 760 mmHg
Vapour Pressure: 27.3±0.2 mmHg at 25°C
Enthalpy of Vaporization: 33.5±3.0 kJ/mol
Flash Point: 36.0±5.6 °C
Index of Refraction: 1.537
Molar Refractivity: 37.8±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 263.37
ACD/KOC (pH 5.5): 1880.37
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 263.37
ACD/KOC (pH 7.4): 1880.37
Polar Surface Area: 0 Å2
Polarizability: 15.0±0.5 10-24cm3
Surface Tension: 32.0±3.0 dyne/cm
Molar Volume: 121.1±3.0 cm3

Predicted data is generated using the US Environmental Protection Agency�s EPISuite™ 

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  3.79

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  160.28  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -28.81  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  26.3  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  112 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.6165
       log Kow used: 3.79 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  8.0921 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   6.78E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.986E+001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.79  (KowWin est)
  Log Kaw used:  0.443  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.347
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2112
   Biowin2 (Non-Linear Model)     :   0.0042
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.9930  (months      )
   Biowin4 (Primary Survey Model) :   3.0304  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.1357
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1676
 Ready Biodegradability Prediction:   NO

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  3.31E+003 Pa (24.8 mm Hg)
  Log Koa (Koawin est  ): 3.347
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.07E-010 
       Octanol/air (Koa) model:  5.46E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.28E-008 
       Mackay model           :  7.26E-008 
       Octanol/air (Koa) model:  4.37E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0000 E-12 cm3/molecule-sec
      Half-Life =   -------
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 5.27E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  224.7
      Log Koc:  2.352 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 2.219 (BCF = 165.4)
       log Kow used: 3.79 (estimated)

 Volatilization from Water:
    Henry LC:  0.0678 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.936  hours
    Half-Life from Model Lake :      178.8  hours   (7.452 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              96.67  percent
    Total biodegradation:        0.06  percent
    Total sludge adsorption:    12.32  percent
    Total to Air:               84.29  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       33.6            1e+005       1000       
   Water     32.9            1.44e+003    1000       
   Soil      27.7            2.88e+003    1000       
   Sediment  5.87            1.3e+004     0          
     Persistence Time: 255 hr

Click to predict properties on the Chemicalize site


Advertisement