CAS Number: 121552-61-2
SMILES : c1ccccc1Nc2nc(C3CC3)cc(C)n2
CHEM   : CGA 219417 (cyprodinil)
MOL FOR: C14 H15 N3 
MOL WT : 225.30
------------------------------ 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) =  3.99
    Log Kow (Exper. database match) =  4.00
       Exper. Ref:  TOMLIN,C (1997)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  351.60  (Adapted Stein & Brown method)
    Melting Pt (deg C):  126.50  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.98E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00531  (Modified Grain method)
    MP  (exp database):  75.9 deg C
    VP  (exp database):  3.68E-06 mm Hg (4.91E-004 Pa) at 25 deg C
    Subcooled liquid VP: 1.17E-005 mm Hg (25 deg C, exp database VP )
                       : 0.00156 Pa  (25 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  12.38
       log Kow used: 4.00 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  13 mg/L (25 deg C)
        Exper. Ref:  TOMLIN,C (1997)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  11.906 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.91E-006  atm-m3/mole  (1.94E-001 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 8.39E-08  atm-m3/mole  (8.50E-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:  9.530E-007 atm-m3/mole  (9.657E-002 Pa-m3/mole)
      VP:   3.98E-005 mm Hg (source: MPBPVP)
      WS:   12.4 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.00  (exp database)
  Log Kaw used:  -5.465  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  9.465
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6440
   Biowin2 (Non-Linear Model)     :   0.7018
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4387  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2821  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0047
   Biowin6 (MITI Non-Linear Model):   0.0310
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4893
 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):  0.00156 Pa (1.17E-005 mm Hg)
  Log Koa (Koawin est  ): 9.465
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00192 
       Octanol/air (Koa) model:  0.000716 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.065 
       Mackay model           :  0.133 
       Octanol/air (Koa) model:  0.0542 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 200.2512 E-12 cm3/molecule-sec
      Half-Life =     0.053 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.641 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.0991 (Junge-Pankow, Mackay avg)
      0.0542 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1951  L/kg (MCI method)
      Log Koc:  3.290       (MCI method)
      Koc    :  3111  L/kg (Kow method)
      Log Koc:  3.493       (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 = 2.306 (BCF = 202.4 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.6085 days (HL = 0.2463 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.980 (BCF = 95.51)
   Log BAF Arnot-Gobas method (upper trophic) = 1.980 (BAF = 95.52)
       log Kow used: 4.00 (expkow database)
 
 Volatilization from Water:
    Henry LC:  8.39E-008 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River: 1.048E+004  hours   (436.5 days)
    Half-Life from Model Lake : 1.144E+005  hours   (4767 days)
 
 Removal In Wastewater Treatment:
    Total removal:              30.07  percent
    Total biodegradation:        0.32  percent
    Total sludge adsorption:    29.74  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       0.0519          1.28         1000       
   Water     17.3            900          1000       
   Soil      80.8            1.8e+003     1000       
   Sediment  1.9             8.1e+003     0          
     Persistence Time: 1.11e+003 hr