1,2,3,4,6,7,8-Heptachlorodibenzofuran

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) =  8.23
    Log Kow (Exper. database match) =  7.92
       Exper. Ref:  Sijm,DTHM et al. (1989)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  439.01  (Adapted Stein & Brown method)
    Melting Pt (deg C):  184.11  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.3E-009  (Modified Grain method)
    MP  (exp database):  233 deg C
    VP  (exp database):  3.53E-11 mm Hg at 25 deg C
    Subcooled liquid VP: 4.03E-009 mm Hg (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3.586e-005
       log Kow used: 7.92 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1.35e-006 mg/L (25 deg C)
        Exper. Ref:  FLETCHER,CL & MACKAY,WA (1993)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.00034518 mg/L
    Wat Sol (Exper. database match) =  0.00
       Exper. Ref:  FLETCHER,CL & MACKAY,WA (1993)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   6.28E-006  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  7.960E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.92  (exp database)
  Log Kaw used:  -3.590  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  11.510
      Log Koa (experimental database):  11.430

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.7243
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   0.8484  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.0998  (months      )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.4541
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -2.0753
 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):  5.37E-007 Pa (4.03E-009 mm Hg)
  Log Koa (Exp database): 11.430
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.58 
       Octanol/air (Koa) model:  0.0661 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.995 
       Mackay model           :  0.998 
       Octanol/air (Koa) model:  0.841 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0236 E-12 cm3/molecule-sec
      Half-Life =   453.983 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.996 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  3.893E+005
      Log Koc:  5.590 

 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 = 3.550 (BCF = 3545)
       log Kow used: 7.92 (expkow database)

 Volatilization from Water:
    Henry LC:  6.28E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      190.7  hours   (7.945 days)
    Half-Life from Model Lake :       2250  hours   (93.74 days)

 Removal In Wastewater Treatment:
    Total removal:              94.01  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.23  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0699          1.09e+004    1000       
   Water     0.633           4.32e+003    1000       
   Soil      49.6            8.64e+003    1000       
   Sediment  49.7            3.89e+004    0          
     Persistence Time: 1.37e+004 hr