CAS Number: 144651-06-9
SMILES : n1c(C)cc(C)nc1NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC3COC3
CHEM   : Oxasulfuron
MOL FOR: C17 H18 N4 O6 S1 
MOL WT : 406.42
------------------------------ 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) =  1.25
    Log Kow (Exper. database match) =  1.10
       Exper. Ref:  WSSA (1998)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  585.13  (Adapted Stein & Brown method)
    Melting Pt (deg C):  252.36  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.82E-012  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.04E-009  (Modified Grain method)
    MP  (exp database):  158 dec deg C
    Subcooled liquid VP: 1.8E-010 mm Hg (25 deg C, Mod-Grain method)
                       : 2.4E-008 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  321.3
       log Kow used: 1.10 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  52 mg/L (25 deg C)
        Exper. Ref:  TOMLIN,C (1997); pH 5.1
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  49.108 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
       Oxetanes 
       Sulfonyl Ureas 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.20E-016  atm-m3/mole  (3.25E-011 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:  1.302E-014 atm-m3/mole  (1.319E-009 Pa-m3/mole)
      VP:   7.82E-012 mm Hg (source: MPBPVP)
      WS:   321 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.10  (exp database)
  Log Kaw used:  -13.883  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  14.983
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4902
   Biowin2 (Non-Linear Model)     :   0.2773
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2829  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3435  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0242
   Biowin6 (MITI Non-Linear Model):   0.0049
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.6706
 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):  2.4E-008 Pa (1.8E-010 mm Hg)
  Log Koa (Koawin est  ): 14.983
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  125 
       Octanol/air (Koa) model:  236 
   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 =  41.1845 E-12 cm3/molecule-sec
      Half-Life =     0.260 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.117 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    :  81.96  L/kg (MCI method)
      Log Koc:  1.914       (MCI method)
      Koc    :  80.42  L/kg (Kow method)
      Log Koc:  1.905       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  2.838E-002  L/mol-sec
  Kb Half-Life at pH 8:     282.672  days   
  Kb Half-Life at pH 7:       7.739  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 0.393 (BCF = 2.47 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -2.9888 days (HL = 0.001026 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.064 (BCF = 1.159)
   Log BAF Arnot-Gobas method (upper trophic) = 0.064 (BAF = 1.159)
       log Kow used: 1.10 (expkow database)
 
 Volatilization from Water:
    Henry LC:  3.2E-016 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 3.689E+012  hours   (1.537E+011 days)
    Half-Life from Model Lake : 4.024E+013  hours   (1.677E+012 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.90  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.80  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       1.81e-006       6.23         1000       
   Water     18.3            900          1000       
   Soil      81.6            1.8e+003     1000       
   Sediment  0.107           8.1e+003     0          
     Persistence Time: 1.57e+003 hr