ChemSpider 2D Image | Iodotrifluoroethylene | C2F3I

Iodotrifluoroethylene

  • Molecular FormulaC2F3I
  • Average mass207.921 Da
  • Monoisotopic mass207.899673 Da
  • ChemSpider ID61074

More details:






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

1,1,2-Trifluor-2-iodethen [German] [ACD/IUPAC Name]
1,1,2-Trifluoro-2-iodoethene [ACD/IUPAC Name]
1,1,2-Trifluoro-2-iodoéthène [French] [ACD/IUPAC Name]
Ethene, 1,1,2-trifluoro-2-iodo- [ACD/Index Name]
ethene, trifluoroiodo-
iodotrifluoroethene
Iodotrifluoroethylene [Wiki]
[359-37-5]
1-Iodo-1,2,2-trifluoroethene
206-629-9 [EINECS]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD00042137 [DBID]
NSC174158 [DBID]

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

Density: 2.3±0.1 g/cm3
Boiling Point: 30.0±0.0 °C at 760 mmHg
Vapour Pressure: 635.6±0.0 mmHg at 25°C
Enthalpy of Vaporization: 26.4±3.0 kJ/mol
Flash Point: -11.9±11.7 °C
Index of Refraction: 1.458
Molar Refractivity: 24.5±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 33.36
ACD/KOC (pH 5.5): 428.52
ACD/LogD (pH 7.4): 2.31
ACD/BCF (pH 7.4): 33.36
ACD/KOC (pH 7.4): 428.52
Polar Surface Area: 0 Å2
Polarizability: 9.7±0.5 10-24cm3
Surface Tension: 21.6±3.0 dyne/cm
Molar Volume: 89.9±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) =  1.97

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  90.30  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -97.48  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  636  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  30 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  820.7
       log Kow used: 1.97 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3916.1 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Vinyl/Allyl Halides

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.44E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.120E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.97  (KowWin est)
  Log Kaw used:  0.347  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  1.623
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6486
   Biowin2 (Non-Linear Model)     :   0.5140
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7397  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5478  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1457
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8361
 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):  8.48E+004 Pa (636 mm Hg)
  Log Koa (Koawin est  ): 1.623
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.54E-011 
       Octanol/air (Koa) model:  1.03E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.28E-009 
       Mackay model           :  2.83E-009 
       Octanol/air (Koa) model:  8.24E-010 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.2649 E-12 cm3/molecule-sec
      Half-Life =    40.383 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.001568 E-17 cm3/molecule-sec
      Half-Life =   730.866 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi): 2.05E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  106.8
      Log Koc:  2.029 

 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 = 0.820 (BCF = 6.61)
       log Kow used: 1.97 (estimated)

 Volatilization from Water:
    Henry LC:  0.0544 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.487  hours
    Half-Life from Model Lake :      137.1  hours   (5.714 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              95.48  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.54  percent
    Total to Air:               94.92  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       49.6            918          1000       
   Water     48.6            900          1000       
   Soil      1.55            1.8e+003     1000       
   Sediment  0.181           8.1e+003     0          
     Persistence Time: 161 hr




                    

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