1,2-Dichlorobenzene

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  3.28
    Log Kow (Exper. database match) =  3.43
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  174.69  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -14.33  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.965  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -16.7 deg C
    BP  (exp database):  180 deg C
    VP  (exp database):  1.47E+00 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  92.03
       log Kow used: 3.43 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  156 mg/L (25 deg C)
        Exper. Ref:  BANERJEE,S ET AL. (1980)
     Water Sol (Exper. database match) =  80 mg/L (25 deg C)
        Exper. Ref:  SHIU,WY ET AL. (1990)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  104.13 mg/L
    Wat Sol (Exper. database match) =  156.00
       Exper. Ref:  BANERJEE,S ET AL. (1980)
    Wat Sol (Exper. database match) =  80.00
       Exper. Ref:  SHIU,WY ET AL. (1990)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.96E-003  atm-m3/mole
   Group Method:   3.88E-003  atm-m3/mole
   Exper Database: 1.92E-03  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  2.028E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.43  (exp database)
  Log Kaw used:  -1.105  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  4.535
      Log Koa (experimental database):  4.360

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3127
   Biowin2 (Non-Linear Model)     :   0.0427
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4611  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3050  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3200
   Biowin6 (MITI Non-Linear Model):   0.1576
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3502
 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):  196 Pa (1.47 mm Hg)
  Log Koa (Exp database): 4.360
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.53E-008 
       Octanol/air (Koa) model:  5.62E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.53E-007 
       Mackay model           :  1.22E-006 
       Octanol/air (Koa) model:  4.5E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.4005 E-12 cm3/molecule-sec
      Half-Life =    26.708 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 8.89E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  443.1
      Log Koc:  2.646 

 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 = 1.941 (BCF = 87.32)
       log Kow used: 3.43 (expkow database)

 Volatilization from Water:
    Henry LC:  0.00192 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.607  hours
    Half-Life from Model Lake :      119.2  hours   (4.966 days)

 Removal In Wastewater Treatment:
    Total removal:              48.66  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:     9.07  percent
    Total to Air:               39.47  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       9.33            611          1000       
   Water     13.4            900          1000       
   Soil      76.4            1.8e+003     1000       
   Sediment  0.826           8.1e+003     0          
     Persistence Time: 636 hr