CAS Number: 87-90-1
SMILES : O=C(N(C(=O)N(C1(=O))CL)CL)N1CL
CHEM   : 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trichloro-
MOL FOR: C3 CL3 N3 O3 
MOL WT : 232.41
------------------------------ EPI SUMMARY (v4.11) --------------------------
 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) =  0.94
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  412.50  (Adapted Stein & Brown method)
    Melting Pt (deg C):  171.73  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.62E-008  (Modified Grain method)
    VP (Pa, 25 deg C) :  2.16E-006  (Modified Grain method)
    MP  (exp database):  246.7 dec deg C
    Subcooled liquid VP: 4.12E-006 mm Hg (25 deg C, Mod-Grain method)
                       : 0.00055 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  4610
       log Kow used: 0.94 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1.2e+004 mg/L (25 deg C)
        Exper. Ref:  BURAKEVICH,JV (1979)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  738.28 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Haloimides 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.19E-011  atm-m3/mole  (6.27E-006 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  1.075E-012 atm-m3/mole  (1.089E-007 Pa-m3/mole)
      VP:   1.62E-008 mm Hg (source: MPBPVP)
      WS:   4.61E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.94  (KowWin est)
  Log Kaw used:  -8.597  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.537
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6369
   Biowin2 (Non-Linear Model)     :   0.4276
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6856  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5124  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0207
   Biowin6 (MITI Non-Linear Model):   0.0150
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8361
 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):  0.000549 Pa (4.12E-006 mm Hg)
  Log Koa (Koawin est  ): 9.537
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00546 
       Octanol/air (Koa) model:  0.000845 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.165 
       Mackay model           :  0.304 
       Octanol/air (Koa) model:  0.0633 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   3.0000 E-12 cm3/molecule-sec
      Half-Life =     3.565 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    42.784 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.234 (Junge-Pankow, Mackay avg)
      0.0633 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  27.58  L/kg (MCI method)
      Log Koc:  1.441       (MCI method)
      Koc    :  26.58  L/kg (Kow method)
      Log Koc:  1.425       (Kow method)
 
 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 = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -5.6074 days (HL = 2.469e-006 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.022 (BCF = 1.052)
   Log BAF Arnot-Gobas method (upper trophic) = 0.022 (BAF = 1.052)
       log Kow used: 0.94 (estimated)
 
 Volatilization from Water:
    Henry LC:  6.19E-011 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.442E+007  hours   (6.008E+005 days)
    Half-Life from Model Lake : 1.573E+008  hours   (6.554E+006 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.88  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.79  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       0.00187         85.6         1000       
   Water     26.3            900          1000       
   Soil      73.6            1.8e+003     1000       
   Sediment  0.0847          8.1e+003     0          
     Persistence Time: 1.33e+003 hr