CAS Number: 82560-54-1
SMILES : c1ccc2CC(C)(C)Oc2c1OC(=O)N(C)SN(C(C)C)CCC(=O)OCC
CHEM   : Benfuracarb
MOL FOR: C20 H30 N2 O5 S1 
MOL WT : 410.53
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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) =  4.06
    Log Kow (Exper. database match) =  4.30
       Exper. Ref:  TOMLIN,C (1994)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  443.93  (Adapted Stein & Brown method)
    Melting Pt (deg C):  163.99  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.95E-007  (Modified Grain method)
    VP (Pa, 25 deg C) :  9.27E-005  (Modified Grain method)
    MP  (exp database):  < 25 deg C
    BP  (exp database):  110 @ 0.173 mm Hg deg C
    VP  (exp database):  2.00E-07 mm Hg (2.67E-005 Pa) at 20 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.5604
       log Kow used: 4.30 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  8 mg/L (20 deg C)
        Exper. Ref:  SHIU,WY ET AL. (1990)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  16.213 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Aliphatic Amines
       Carbamate Esters 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.02E-012  atm-m3/mole  (3.06E-007 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 1.35E-08  atm-m3/mole  (1.37E-003 Pa-m3/mole)
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  6.699E-007 atm-m3/mole  (6.788E-002 Pa-m3/mole)
      VP:   6.95E-007 mm Hg (source: MPBPVP)
      WS:   0.56 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.30  (exp database)
  Log Kaw used:  -6.258  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  10.558
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7289
   Biowin2 (Non-Linear Model)     :   0.9138
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0871  (months      )
   Biowin4 (Primary Survey Model) :   3.3395  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1664
   Biowin6 (MITI Non-Linear Model):   0.0262
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1217
 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):  2.67E-005 Pa (2E-007 mm Hg)
  Log Koa (Koawin est  ): 10.558
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.112 
       Octanol/air (Koa) model:  0.00887 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.803 
       Mackay model           :  0.9 
       Octanol/air (Koa) model:  0.415 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  57.0859 E-12 cm3/molecule-sec
      Half-Life =     0.187 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.248 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.851 (Junge-Pankow, Mackay avg)
      0.415 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1515  L/kg (MCI method)
      Log Koc:  3.180       (MCI method)
      Koc    :  1426  L/kg (Kow method)
      Log Koc:  3.154       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  5.821E-002  L/mol-sec
  Kb Half-Life at pH 8:     137.810  days   
  Kb Half-Life at pH 7:       3.773  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.504 (BCF = 319.3 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.3341 days (HL = 0.4633 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.255 (BCF = 179.7)
   Log BAF Arnot-Gobas method (upper trophic) = 2.255 (BAF = 179.8)
       log Kow used: 4.30 (expkow database)
 
 Volatilization from Water:
    Henry LC:  1.35E-008 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River: 8.787E+004  hours   (3661 days)
    Half-Life from Model Lake : 9.588E+005  hours   (3.995E+004 days)
 
 Removal In Wastewater Treatment:
    Total removal:              45.27  percent
    Total biodegradation:        0.44  percent
    Total sludge adsorption:    44.83  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       0.0436          4.5          1000       
   Water     10.9            1.44e+003    1000       
   Soil      87.9            2.88e+003    1000       
   Sediment  1.11            1.3e+004     0          
     Persistence Time: 2.24e+003 hr