CAS Number: 144740-54-5
SMILES : COC(=O)c1ccc(C(F)(F)F)nc1S(=O)(=O)N([Na])C(=O)Nc2nc(OC)cc(OC)n2
CHEM   : Flupyrsulfuron-methyl-sodium
MOL FOR: C15 H13 F3 N5 O7 S1 Na1 
MOL WT : 487.34
------------------------------ 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) =  0.13
    Log Kow (Exper. database match) =  0.96
       Exper. Ref:  TOMLIN,C (1997); pH 5
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  816.65  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.87E-018  (Modified Grain method)
    VP (Pa, 25 deg C) :  5.16E-016  (Modified Grain method)
    MP  (exp database):  167.5 deg C
    Subcooled liquid VP: 1.14E-016 mm Hg (25 deg C, Mod-Grain method)
                       : 1.52E-014 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  130.7
       log Kow used: 0.96 (expkow database)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.5669 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
       Sulfonyl Ureas 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.78E-014  atm-m3/mole  (3.83E-009 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:  1.899E-020 atm-m3/mole  (1.924E-015 Pa-m3/mole)
      VP:   3.87E-018 mm Hg (source: MPBPVP)
      WS:   131 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.96  (exp database)
  Log Kaw used:  -11.811  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  12.771
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2890
   Biowin2 (Non-Linear Model)     :   0.0886
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.4676  (recalcitrant)
   Biowin4 (Primary Survey Model) :   3.2664  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1064
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.4800
 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):  1.52E-014 Pa (1.14E-016 mm Hg)
  Log Koa (Koawin est  ): 12.771
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.97E+008 
       Octanol/air (Koa) model:  1.45 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  0.991 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 201.8768 E-12 cm3/molecule-sec
      Half-Life =     0.053 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.636 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1 (Junge-Pankow, Mackay avg)
      0.991 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  209.9  L/kg (MCI method)
      Log Koc:  2.322       (MCI method)
      Koc    :  64.32  L/kg (Kow method)
      Log Koc:  1.808       (Kow method)
       Experimental Log Koc:  1.46  (database)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  3.998E-002  L/mol-sec
  Kb Half-Life at pH 8:     200.670  days   
  Kb Half-Life at pH 7:       5.494  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 0.634 (BCF = 4.307 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -3.2187 days (HL = 0.0006044 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.160 (BCF = 1.445)
   Log BAF Arnot-Gobas method (upper trophic) = 0.160 (BAF = 1.445)
       log Kow used: 1.47 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.78E-014 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 3.419E+010  hours   (1.425E+009 days)
    Half-Life from Model Lake :  3.73E+011  hours   (1.554E+010 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       0.0181          1.27         1000       
   Water     12.7            4.32e+003    1000       
   Soil      87.1            8.64e+003    1000       
   Sediment  0.178           3.89e+004    0          
     Persistence Time: 3.15e+003 hr