Dichlorodiphenyldichloroethane

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) =  5.87
    Log Kow (Exper. database match) =  6.02
       Exper. Ref:  Sangster (1994)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  366.75  (Adapted Stein & Brown method)
    Melting Pt (deg C):  114.30  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.95E-005  (Modified Grain method)
    MP  (exp database):  109.5 deg C
    BP  (exp database):  350 deg C
    VP  (exp database):  1.35E-06 mm Hg at 25 deg C
    Subcooled liquid VP: 9.25E-006 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):  0.06764
       log Kow used: 6.02 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  0.09 mg/L (25 deg C)
        Exper. Ref:  BIGGAR,JW & RIGGS,RI (1974)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.019983 mg/L
    Wat Sol (Exper. database match) =  0.09
       Exper. Ref:  BIGGAR,JW & RIGGS,RI (1974)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.34E-005  atm-m3/mole
   Group Method:   Incomplete
   Exper Database: 6.60E-06  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.214E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.02  (exp database)
  Log Kaw used:  -3.569  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  9.589
      Log Koa (experimental database):  10.100

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.0622
   Biowin2 (Non-Linear Model)     :   0.0002
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.6575  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.7856  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.2202
   Biowin6 (MITI Non-Linear Model):   0.0007
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.0084
 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):  0.00123 Pa (9.25E-006 mm Hg)
  Log Koa (Exp database): 10.100
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00243 
       Octanol/air (Koa) model:  0.00309 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0808 
       Mackay model           :  0.163 
       Octanol/air (Koa) model:  0.198 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   4.3442 E-12 cm3/molecule-sec
      Half-Life =     2.462 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    29.546 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.122 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.525E+005
      Log Koc:  5.183 

 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 = 3.935 (BCF = 8618)
       log Kow used: 6.02 (expkow database)

 Volatilization from Water:
    Henry LC:  6.6E-006 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      160.5  hours   (6.689 days)
    Half-Life from Model Lake :       1901  hours   (79.22 days)

 Removal In Wastewater Treatment:
    Total removal:              92.24  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    91.46  percent
    Total to Air:                0.01  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.165           59.1         1000       
   Water     1.56            4.32e+003    1000       
   Soil      47.2            8.64e+003    1000       
   Sediment  51              3.89e+004    0          
     Persistence Time: 9e+003 hr