CAS Number: 7553-56-2
SMILES : II
CHEM   : Iodine
MOL FOR: I2 
MOL WT : 253.81
------------------------------ EPI SUMMARY (v4.10) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    *** WARNING: Inorganic Compound (Outside Estimation Domain)
    Log Kow (KOWWIN v1.68 estimate) =  1.86
    Log Kow (Exper. database match) =  2.49
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
   *** WARNING: Inorganic Compound (Outside Estimate Domain) ***
   *** WARNING: Estimations NOT VALID ***
    Boiling Pt (deg C):  546.86  (Adapted Stein & Brown method)
    Melting Pt (deg C):  219.18  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.127  (Modified Grain method)
    VP (Pa, 25 deg C) :  16.9  (Modified Grain method)
    MP  (exp database):  113.6 deg C
    BP  (exp database):  185.24 deg C
    VP  (exp database):  2.33E-01 mm Hg (3.11E+001 Pa) at 25 deg C
    Subcooled liquid VP: 1.75 mm Hg (25 deg C, exp database VP )
                       : 234 Pa  (25 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    *** WARNING: Inorganic Compound (Outside Estimation Domain)**
    Water Solubility at 25 deg C (mg/L):  168.4
       log Kow used: 2.49 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  330 mg/L (25 deg C)
        Exper. Ref:  CLAYTON,GD & CLAYTON,FE (1994)
 
 Water Sol Estimate from Fragments:
    *** WARNING: Inorganic Compound (Outside Estimation Domain)***
    *** WARNING: Wat Sol Estimation NOT Valid ***
    Wat Sol (v1.01 est) =  3155.4 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   *** WARNING: Inorganic Compound (Outside Estimation Domain) **
   *** WARNING: Estimation NOT VALID **
   Bond Method :   Incomplete
   Group Method:   2.45E-002  atm-m3/mole  (2.48E+003 Pa-m3/mole)
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  2.519E-004 atm-m3/mole  (2.552E+001 Pa-m3/mole)
      VP:   0.127 mm Hg (source: MPBPVP)
      WS:   168 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Can Not Estimate (can not calculate HenryLC)
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
    *** WARNING: Inorganic Compound (Outside Estimation Domain)**
    *** WARNING: Estimation NOT VALID ***
   Biowin1 (Linear Model)         :   0.6267
   Biowin2 (Non-Linear Model)     :   0.3554
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6383  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4816  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0429
   Biowin6 (MITI Non-Linear Model):   0.0082
 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):  233 Pa (1.75 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.29E-008 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.64E-007 
       Mackay model           :  1.03E-006 
       Octanol/air (Koa) model:  not available
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
    *** WARNING: Inorganic Compound (Outside Estimation Domain)***
   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):
      7.46E-007 (Junge-Pankow, Mackay avg)
      not available (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
   *** WARNING: Inorganic Coumpound (Outside Estimation Domain) **
   *** WARNING: Estimation NOT VALID **
      Koc    :  13.22  L/kg (MCI method)
      Log Koc:  1.121       (MCI method)
      Koc    :  144.8  L/kg (Kow method)
      Log Koc:  2.161       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.026E-009  L/mol-sec
  Kb Half-Life at pH 8: 2.140E+007  years  
  Kb Half-Life at pH 7: 2.140E+008  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.310 (BCF = 20.41 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.4226 days (HL = 0.03779 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.992 (BCF = 9.812)
   Log BAF Arnot-Gobas method (upper trophic) = 0.992 (BAF = 9.812)
       log Kow used: 2.49 (expkow database)
 
 Volatilization from Water:
    Henry LC:  0.0245 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.664  hours
    Half-Life from Model Lake :      151.7  hours   (6.322 days)
 
 Removal In Wastewater Treatment:
    Total removal:              90.55  percent
    Total biodegradation:        0.03  percent
    Total sludge adsorption:     1.16  percent
    Total to Air:               89.37  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       51.2            1e+005       1000       
   Water     47              900          1000       
   Soil      1.63            1.8e+003     1000       
   Sediment  0.119           8.1e+003     0          
     Persistence Time: 168 hr