1,2,3-Trichlorobenzene

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) =  3.93
    Log Kow (Exper. database match) =  4.05
       Exper. Ref:  Sangster (1994)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  207.39  (Adapted Stein & Brown method)
    Melting Pt (deg C):  16.44  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0718  (Modified Grain method)
    MP  (exp database):  53.5 deg C
    BP  (exp database):  218.5 deg C
    VP  (exp database):  2.10E-01 mm Hg at 25 deg C
    Subcooled liquid VP: 0.402 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):  18.84
       log Kow used: 4.05 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  18 mg/L (25 deg C)
        Exper. Ref:  CHIOU,CT ET AL. (1986)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  26.128 mg/L
    Wat Sol (Exper. database match) =  18.00
       Exper. Ref:  CHIOU,CT ET AL. (1986)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.19E-003  atm-m3/mole
   Group Method:   3.30E-003  atm-m3/mole
   Exper Database: 1.25E-03  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  9.099E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.05  (exp database)
  Log Kaw used:  -1.292  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  5.342
      Log Koa (experimental database):  5.190

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.1139
   Biowin2 (Non-Linear Model)     :   0.0036
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.1784  (months      )
   Biowin4 (Primary Survey Model) :   3.0899  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2155
   Biowin6 (MITI Non-Linear Model):   0.0470
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.6570
 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):  53.6 Pa (0.402 mm Hg)
  Log Koa (Exp database): 5.190
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.6E-008 
       Octanol/air (Koa) model:  3.8E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.02E-006 
       Mackay model           :  4.48E-006 
       Octanol/air (Koa) model:  3.04E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.2817 E-12 cm3/molecule-sec
      Half-Life =    37.967 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 3.25E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  732.5
      Log Koc:  2.865 

 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 = 262.1)
       log Kow used: 4.05 (expkow database)

 Volatilization from Water:
    Henry LC:  0.00125 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      2.005  hours
    Half-Life from Model Lake :      134.8  hours   (5.618 days)

 Removal In Wastewater Treatment:
    Total removal:              52.13  percent
    Total biodegradation:        0.26  percent
    Total sludge adsorption:    28.03  percent
    Total to Air:               23.84  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       4.03            911          1000       
   Water     7.11            1.44e+003    1000       
   Soil      86.5            2.88e+003    1000       
   Sediment  2.41            1.3e+004     0          
     Persistence Time: 1.34e+003 hr