CAS Number: 99-30-9
SMILES : N(=O)(=O)c(cc(c(N)c1CL)CL)c1
CHEM   : Benzenamine, 2,6-dichloro-4-nitro-
MOL FOR: C6 H4 CL2 N2 O2 
MOL WT : 207.02
------------------------------ EPI SUMMARY (v4.10) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  2.76
    Log Kow (Exper. database match) =  2.80
       Exper. Ref:  TOMLIN,C (1997)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  320.34  (Adapted Stein & Brown method)
    Melting Pt (deg C):  113.77  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.2E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00159  (Modified Grain method)
    MP  (exp database):  191 deg C
    VP  (exp database):  1.20E-06 mm Hg (1.60E-004 Pa) at 20 deg C
    Subcooled liquid VP: 5.26E-005 mm Hg (20 deg C, exp database VP )
                       : 0.00701 Pa  (20 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  163.6
       log Kow used: 2.80 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  7 mg/L (20 deg C)
        Exper. Ref:  WORTHING,CR & WALKER,SB (1987)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  115.57 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Anilines (Aromatic Amines)
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.12E-009  atm-m3/mole  (4.18E-004 Pa-m3/mole)
   Group Method:   1.31E-008  atm-m3/mole  (1.33E-003 Pa-m3/mole)
   Exper Database: 4.67E-08  atm-m3/mole  (4.73E-003 Pa-m3/mole)
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  1.998E-008 atm-m3/mole  (2.024E-003 Pa-m3/mole)
      VP:   1.2E-005 mm Hg (source: MPBPVP)
      WS:   164 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.80  (exp database)
  Log Kaw used:  -5.719  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  8.519
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.2546
   Biowin2 (Non-Linear Model)     :   0.0002
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0240  (months      )
   Biowin4 (Primary Survey Model) :   3.0016  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.2202
   Biowin6 (MITI Non-Linear Model):   0.0007
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.6512
 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):  0.00701 Pa (5.26E-005 mm Hg)
  Log Koa (Koawin est  ): 8.519
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000428 
       Octanol/air (Koa) model:  8.11E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0152 
       Mackay model           :  0.0331 
       Octanol/air (Koa) model:  0.00645 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.1381 E-12 cm3/molecule-sec
      Half-Life =    77.436 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.0242 (Junge-Pankow, Mackay avg)
      0.00645 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1947  L/kg (MCI method)
      Log Koc:  3.289       (MCI method)
      Koc    :  1829  L/kg (Kow method)
      Log Koc:  3.262       (Kow method)
       Experimental Log Koc:  3  (database)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
    Rate constants can NOT be estimated for this structure!
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.514 (BCF = 32.69 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.6574 days (HL = 0.2201 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.577 (BCF = 37.73)
   Log BAF Arnot-Gobas method (upper trophic) = 1.577 (BAF = 37.73)
       log Kow used: 2.80 (expkow database)
 
 Volatilization from Water:
    Henry LC:  4.67E-008 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River: 1.804E+004  hours   (751.7 days)
    Half-Life from Model Lake : 1.969E+005  hours   (8205 days)
 
 Removal In Wastewater Treatment:
    Total removal:               4.31  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:     4.20  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       0.192           1.86e+003    1000       
   Water     9.44            1.44e+003    1000       
   Soil      89.1            2.88e+003    1000       
   Sediment  1.27            1.3e+004     0          
     Persistence Time: 2.67e+003 hr