1-Bromo-4-iodobenzene

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

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

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  4.05

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  245.27  (Adapted Stein & Brown method)
    Melting Pt (deg C):  35.29  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00541  (Modified Grain method)
    MP  (exp database):  92 deg C
    BP  (exp database):  252 deg C
    Subcooled liquid VP: 0.024 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  5.361
       log Kow used: 4.05 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  7.79 mg/L (25 deg C)
        Exper. Ref:  OKOUCHI,S ET AL. (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  20.16 mg/L
    Wat Sol (Exper. database match) =  7.79
       Exper. Ref:  OKOUCHI,S ET AL. (1992)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.97E-004  atm-m3/mole
   Group Method:   7.05E-004  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  3.757E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.05  (KowWin est)
  Log Kaw used:  -1.692  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.742
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.2561
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3930  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.1590  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.3139
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4544
 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):  3.2 Pa (0.024 mm Hg)
  Log Koa (Koawin est  ): 5.742
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.37E-007 
       Octanol/air (Koa) model:  1.36E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.39E-005 
       Mackay model           :  7.5E-005 
       Octanol/air (Koa) model:  1.08E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.4055 E-12 cm3/molecule-sec
      Half-Life =    26.380 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 5.44E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  434
      Log Koc:  2.638 

 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 = 2.419 (BCF = 262.2)
       log Kow used: 4.05 (estimated)

 Volatilization from Water:
    Henry LC:  0.000705 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      3.113  hours
    Half-Life from Model Lake :        175  hours   (7.292 days)

 Removal In Wastewater Treatment:
    Total removal:              45.61  percent
    Total biodegradation:        0.29  percent
    Total sludge adsorption:    29.33  percent
    Total to Air:               15.99  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       4.81            633          1000       
   Water     9.63            900          1000       
   Soil      83              1.8e+003     1000       
   Sediment  2.55            8.1e+003     0          
     Persistence Time: 974 hr