4-Chlorodiphenyl ether

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) =  4.69
    Log Kow (Exper. database match) =  4.70
       Exper. Ref:  Kurz,J & Ballschmiter,K (1999)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  294.99  (Adapted Stein & Brown method)
    Melting Pt (deg C):  63.97  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00191  (Modified Grain method)
    BP  (exp database):  284.5 deg C
    VP  (exp database):  2.70E-03 mm Hg at 25 deg C
    Subcooled liquid VP: 0.00656 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):  4.012
       log Kow used: 4.70 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  3.3 mg/L (25 deg C)
        Exper. Ref:  BRANSON,DR (1977)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  5.5958 mg/L
    Wat Sol (Exper. database match) =  3.30
       Exper. Ref:  BRANSON,DR (1977)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   8.73E-005  atm-m3/mole
   Group Method:   2.39E-004  atm-m3/mole
   Exper Database: 9.00E-05  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.282E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.70  (exp database)
  Log Kaw used:  -2.434  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  7.134
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7277
   Biowin2 (Non-Linear Model)     :   0.8942
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5042  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4691  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3786
   Biowin6 (MITI Non-Linear Model):   0.2319
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0289
 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):  0.875 Pa (0.00656 mm Hg)
  Log Koa (Koawin est  ): 7.134
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.43E-006 
       Octanol/air (Koa) model:  3.34E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000124 
       Mackay model           :  0.000274 
       Octanol/air (Koa) model:  0.000267 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   5.1640 E-12 cm3/molecule-sec
      Half-Life =     2.071 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    24.855 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.000199 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  4160
      Log Koc:  3.619 

 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 = 2.919 (BCF = 829.9)
       log Kow used: 4.70 (expkow database)

 Volatilization from Water:
    Henry LC:  9E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      10.77  hours
    Half-Life from Model Lake :      237.4  hours   (9.892 days)

 Removal In Wastewater Treatment:
    Total removal:              66.74  percent
    Total biodegradation:        0.58  percent
    Total sludge adsorption:    64.78  percent
    Total to Air:                1.38  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.47            49.7         1000       
   Water     11.4            900          1000       
   Soil      73.7            1.8e+003     1000       
   Sediment  13.4            8.1e+003     0          
     Persistence Time: 1.17e+003 hr