ChemSpider 2D Image | Iodoethene | C2H3I

Iodoethene

  • Molecular FormulaC2H3I
  • Average mass153.950 Da
  • Monoisotopic mass153.927933 Da
  • ChemSpider ID62198

More details:

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

593-66-8 [RN]
Ethene, iodo- [ACD/Index Name]
Iodethen [German] [ACD/IUPAC Name]
Iodoethene [ACD/IUPAC Name]
Iodoéthène [French] [ACD/IUPAC Name]
vinyl iodide
vinyliodide
1731578 [Beilstein]
1-iodoethylene
209-801-1 [EINECS]
More...

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

MFCD00039404 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.0±0.1 g/cm3
Boiling Point: 56.0±9.0 °C at 760 mmHg
Vapour Pressure: 243.5±0.1 mmHg at 25°C
Enthalpy of Vaporization: 28.6±3.0 kJ/mol
Flash Point: 6.2±13.1 °C
Index of Refraction: 1.549
Molar Refractivity: 24.0±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.10
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 11.95
ACD/KOC (pH 5.5): 205.53
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 11.95
ACD/KOC (pH 7.4): 205.53
Polar Surface Area: 0 Å2
Polarizability: 9.5±0.5 10-24cm3
Surface Tension: 28.7±3.0 dyne/cm
Molar Volume: 75.5±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) =  1.95

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  87.11  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -83.68  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  244  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  56 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1589
       log Kow used: 1.95 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3279.3 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 :   7.76E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.111E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.95  (KowWin est)
  Log Kaw used:  -0.499  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.449
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6743
   Biowin2 (Non-Linear Model)     :   0.6948
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8590  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6256  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2727
   Biowin6 (MITI Non-Linear Model):   0.1379
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6155
 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):  3.23E+004 Pa (242 mm Hg)
  Log Koa (Koawin est  ): 2.449
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.3E-011 
       Octanol/air (Koa) model:  6.9E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.36E-009 
       Mackay model           :  7.44E-009 
       Octanol/air (Koa) model:  5.52E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   6.8380 E-12 cm3/molecule-sec
      Half-Life =     1.564 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    18.770 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.024500 E-17 cm3/molecule-sec
      Half-Life =    46.775 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi): 5.4E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  23.74
      Log Koc:  1.376 

 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 = 0.798 (BCF = 6.282)
       log Kow used: 1.95 (estimated)

 Volatilization from Water:
    Henry LC:  0.00776 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1.36  hours
    Half-Life from Model Lake :      118.9  hours   (4.953 days)

 Removal In Wastewater Treatment:
    Total removal:              75.44  percent
    Total biodegradation:        0.04  percent
    Total sludge adsorption:     0.87  percent
    Total to Air:               74.54  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       26.8            36.3         1000       
   Water     60.9            360          1000       
   Soil      12.1            720          1000       
   Sediment  0.204           3.24e+003    0          
     Persistence Time: 103 hr

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