CAS Number: 36734-19-7
SMILES : c1c(CL)cc(CL)cc1N2C(=O)CN(C(=O)NC(C)C)C2(=O)
CHEM   : Iprodione
MOL FOR: C13 H13 CL2 N3 O3 
MOL WT : 330.17
------------------------------ 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) =  2.85
    Log Kow (Exper. database match) =  3.00
       Exper. Ref:  TOMLIN,C (1997)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  544.90  (Adapted Stein & Brown method)
    Melting Pt (deg C):  233.57  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.51E-010  (Modified Grain method)
    VP (Pa, 25 deg C) :  2.01E-008  (Modified Grain method)
    MP  (exp database):  136 deg C
    VP  (exp database):  3.75E-09 mm Hg (5.00E-007 Pa) at 25 deg C
    Subcooled liquid VP: 4.7E-008 mm Hg (25 deg C, exp database VP )
                       : 6.26E-006 Pa  (25 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  22.34
       log Kow used: 3.00 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  13.9 mg/L (25 deg C)
        Exper. Ref:  WAUCHOPE,RD ET AL. (1991A)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.038469 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Imides
       Substituted Ureas
       Amides 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.04E-013  atm-m3/mole  (1.06E-008 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 3.12E-09  atm-m3/mole  (3.16E-004 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:  2.936E-012 atm-m3/mole  (2.975E-007 Pa-m3/mole)
      VP:   1.51E-010 mm Hg (source: MPBPVP)
      WS:   22.3 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.00  (exp database)
  Log Kaw used:  -6.894  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  9.894
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2255
   Biowin2 (Non-Linear Model)     :   0.0033
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0563  (months      )
   Biowin4 (Primary Survey Model) :   3.0407  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.2632
   Biowin6 (MITI Non-Linear Model):   0.0010
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.6998
 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):  6.27E-006 Pa (4.7E-008 mm Hg)
  Log Koa (Koawin est  ): 9.894
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.479 
       Octanol/air (Koa) model:  0.00192 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.945 
       Mackay model           :  0.975 
       Octanol/air (Koa) model:  0.133 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  18.2711 E-12 cm3/molecule-sec
      Half-Life =     0.585 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     7.025 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.96 (Junge-Pankow, Mackay avg)
      0.133 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  52.52  L/kg (MCI method)
      Log Koc:  1.720       (MCI method)
      Koc    :  312.7  L/kg (Kow method)
      Log Koc:  2.495       (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 = 1.646 (BCF = 44.3 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -2.4491 days (HL = 0.003555 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.780 (BCF = 6.026)
   Log BAF Arnot-Gobas method (upper trophic) = 0.780 (BAF = 6.026)
       log Kow used: 3.00 (expkow database)
 
 Volatilization from Water:
    Henry LC:  3.12E-009 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:  3.41E+005  hours   (1.421E+004 days)
    Half-Life from Model Lake :  3.72E+006  hours   (1.55E+005 days)
 
 Removal In Wastewater Treatment:
    Total removal:               5.69  percent
    Total biodegradation:        0.12  percent
    Total sludge adsorption:     5.57  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       0.214           14           1000       
   Water     23.7            1.44e+003    1000       
   Soil      75.9            2.88e+003    1000       
   Sediment  0.108           1.3e+004     0          
     Persistence Time: 1.51e+003 hr