CAS Number: 122548-33-8
SMILES : CLc1nc2ccccn2c1S(=O)(=O)NC(=O)Nc3nc(OC)cc(OC)n3
CHEM   : Imazosulfuron
MOL FOR: C14 H13 CL1 N6 O5 S1 
MOL WT : 412.81
------------------------------ 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) =  1.72
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  638.29  (Adapted Stein & Brown method)
    Melting Pt (deg C):  277.20  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.64E-013  (Modified Grain method)
    VP (Pa, 25 deg C) :  2.19E-011  (Modified Grain method)
    MP  (exp database):  183 dec deg C
    VP  (exp database):  3.38E-10 mm Hg (4.51E-008 Pa) at 25 deg C
    Subcooled liquid VP: 1.23E-008 mm Hg (25 deg C, exp database VP )
                       : 1.65E-006 Pa  (25 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  86.82
       log Kow used: 1.72 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  6.75 mg/L (25 deg C)
        Exper. Ref:  TOMLIN,C (1997); pH 5.1
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.8346 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Imidazoles
       Sulfonyl Ureas 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.28E-017  atm-m3/mole  (4.34E-012 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:  1.026E-015 atm-m3/mole  (1.040E-010 Pa-m3/mole)
      VP:   1.64E-013 mm Hg (source: MPBPVP)
      WS:   86.8 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.72  (KowWin est)
  Log Kaw used:  -14.757  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  16.477
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6324
   Biowin2 (Non-Linear Model)     :   0.4080
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.9641  (months      )
   Biowin4 (Primary Survey Model) :   3.2411  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0774
   Biowin6 (MITI Non-Linear Model):   0.0018
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1535
 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):  1.64E-006 Pa (1.23E-008 mm Hg)
  Log Koa (Koawin est  ): 16.477
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.83 
       Octanol/air (Koa) model:  7.36E+003 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.985 
       Mackay model           :  0.993 
       Octanol/air (Koa) model:  1 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 206.1473 E-12 cm3/molecule-sec
      Half-Life =     0.052 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.623 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.989 (Junge-Pankow, Mackay avg)
      1 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  82.28  L/kg (MCI method)
      Log Koc:  1.915       (MCI method)
      Koc    :  821.8  L/kg (Kow method)
      Log Koc:  2.915       (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 = 0.801 (BCF = 6.325 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.8390 days (HL = 0.01449 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.387 (BCF = 2.436)
   Log BAF Arnot-Gobas method (upper trophic) = 0.387 (BAF = 2.436)
       log Kow used: 1.72 (estimated)
 
 Volatilization from Water:
    Henry LC:  4.28E-017 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 2.779E+013  hours   (1.158E+012 days)
    Half-Life from Model Lake : 3.032E+014  hours   (1.263E+013 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.06  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.96  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       4.69e-006       1.25         1000       
   Water     17.4            1.44e+003    1000       
   Soil      82.5            2.88e+003    1000       
   Sediment  0.106           1.3e+004     0          
     Persistence Time: 2.19e+003 hr