CAS Number: 173159-57-4
SMILES : c2(nc(cc(n2)OC)OC)NC(=O)NS(=O)(=O)c1c(cccc1C(=O)N(C)C)NC=O
CHEM   : Foramsulfuron
MOL FOR: C17 H20 N6 O7 S1 
MOL WT : 452.44
------------------------------ 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) =  -0.82
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  718.32  (Adapted Stein & Brown method)
    Melting Pt (deg C):  314.58  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.99E-017  (Modified Grain method)
    VP (Pa, 25 deg C) :  3.99E-015  (Modified Grain method)
    Subcooled liquid VP: 5.38E-014 mm Hg (25 deg C, Mod-Grain method)
                       : 7.18E-012 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  352.3
       log Kow used: -0.82 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  147.06 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Amides 
       Sulfonyl Ureas 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.28E-023  atm-m3/mole  (4.34E-018 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:  5.052E-020 atm-m3/mole  (5.119E-015 Pa-m3/mole)
      VP:   2.99E-017 mm Hg (source: MPBPVP)
      WS:   352 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.82  (KowWin est)
  Log Kaw used:  -20.757  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  19.937
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.2163
   Biowin2 (Non-Linear Model)     :   0.9984
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.9747  (months      )
   Biowin4 (Primary Survey Model) :   3.7601  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0444
   Biowin6 (MITI Non-Linear Model):   0.0038
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.6436
 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):  7.17E-012 Pa (5.38E-014 mm Hg)
  Log Koa (Koawin est  ): 19.937
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.18E+005 
       Octanol/air (Koa) model:  2.12E+007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  1 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 218.7744 E-12 cm3/molecule-sec
      Half-Life =     0.049 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.587 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1 (Junge-Pankow, Mackay avg)
      1 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  10  L/kg (MCI method)
      Log Koc:  1.000       (MCI method)
      Koc    :  3.87  L/kg (Kow method)
      Log Koc:  0.588       (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) = -3.9148 days (HL = 0.0001217 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.048 (BCF = 0.8959)
   Log BAF Arnot-Gobas method (upper trophic) = -0.048 (BAF = 0.8959)
       log Kow used: -0.82 (estimated)
 
 Volatilization from Water:
    Henry LC:  4.28E-023 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:  2.91E+019  hours   (1.212E+018 days)
    Half-Life from Model Lake : 3.174E+020  hours   (1.323E+019 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  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       1.68e-008       1.17         1000       
   Water     37              1.44e+003    1000       
   Soil      62.9            2.88e+003    1000       
   Sediment  0.0896          1.3e+004     0          
     Persistence Time: 1.43e+003 hr