CAS Number: 120162-55-2
SMILES : n1c(OC)cc(OC)nc1NC(=O)NS(=O)(=O)c2n(C)ncc2c3nn(C)nn3
CHEM   : Azimsulfuron
MOL FOR: C13 H16 N10 O5 S1 
MOL WT : 424.40
------------------------------ 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) =  -1.34
    Log Kow (Exper. database match) =  0.65
       Exper. Ref:  TOMLIN,C (1997)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  643.46  (Adapted Stein & Brown method)
    Melting Pt (deg C):  279.61  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.69E-013  (Modified Grain method)
    VP (Pa, 25 deg C) :  2.26E-011  (Modified Grain method)
    MP  (exp database):  170 deg C
    VP  (exp database):  3.00E-11 mm Hg (4.00E-009 Pa) at 25 deg C
    Subcooled liquid VP: 8.15E-010 mm Hg (25 deg C, exp database VP )
                       : 1.09E-007 Pa  (25 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  601.3
       log Kow used: 0.65 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1050 mg/L (20 deg C)
        Exper. Ref:  TOMLIN,C (1997); pH 7
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  20183 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Sulfonyl Ureas 
       Pyrazoles/Pyrroles 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.75E-017  atm-m3/mole  (3.80E-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:  1.569E-016 atm-m3/mole  (1.590E-011 Pa-m3/mole)
      VP:   1.69E-013 mm Hg (source: MPBPVP)
      WS:   601 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.65  (exp database)
  Log Kaw used:  -14.814  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  15.464
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8093
   Biowin2 (Non-Linear Model)     :   0.8144
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.1451  (months      )
   Biowin4 (Primary Survey Model) :   3.3897  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.1419
   Biowin6 (MITI Non-Linear Model):   0.0012
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6830
 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):  1.09E-007 Pa (8.15E-010 mm Hg)
  Log Koa (Koawin est  ): 15.464
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  27.6 
       Octanol/air (Koa) model:  714 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.999 
       Mackay model           :  1 
       Octanol/air (Koa) model:  1 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 202.9312 E-12 cm3/molecule-sec
      Half-Life =     0.053 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.632 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.999 (Junge-Pankow, Mackay avg)
      1 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  15.02  L/kg (MCI method)
      Log Koc:  1.177       (MCI method)
      Koc    :  248.8  L/kg (Kow method)
      Log Koc:  2.396       (Kow method)
       Experimental Log Koc:  1.89  (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -2.3061 days (HL = 0.004942 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.010 (BCF = 0.9767)
   Log BAF Arnot-Gobas method (upper trophic) = -0.010 (BAF = 0.9767)
       log Kow used: 0.65 (expkow database)
 
 Volatilization from Water:
    Henry LC:  3.75E-017 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 3.216E+013  hours   (1.34E+012 days)
    Half-Life from Model Lake : 3.509E+014  hours   (1.462E+013 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.86  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.77  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       5.39e-006       1.27         1000       
   Water     33.2            1.44e+003    1000       
   Soil      66.7            2.88e+003    1000       
   Sediment  0.0886          1.3e+004     0          
     Persistence Time: 1.53e+003 hr