CAS Number: 183675-82-3
SMILES : CC(C)CC(C)c1c(ccs1)NC(=O)c2cn(nc2C(F)(F)F)C
CHEM   : 
MOL FOR: C16 H20 F3 N3 O1 S1 
MOL WT : 359.41
------------------------------ 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) =  4.95
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  450.99  (Adapted Stein & Brown method)
    Melting Pt (deg C):  189.70  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.74E-009  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.17E-006  (Modified Grain method)
    Subcooled liquid VP: 4.65E-007 mm Hg (25 deg C, Mod-Grain method)
                       : 6.19E-005 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.3208
       log Kow used: 4.95 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.31016 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Thiophenes
       Amides 
       Pyrazoles/Pyrroles 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.84E-010  atm-m3/mole  (3.89E-005 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:  1.288E-008 atm-m3/mole  (1.305E-003 Pa-m3/mole)
      VP:   8.74E-009 mm Hg (source: MPBPVP)
      WS:   0.321 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.95  (KowWin est)
  Log Kaw used:  -7.804  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  12.754
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3208
   Biowin2 (Non-Linear Model)     :   0.0110
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.7629  (months      )
   Biowin4 (Primary Survey Model) :   3.1917  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.1631
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.5576
 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):  6.2E-005 Pa (4.65E-007 mm Hg)
  Log Koa (Koawin est  ): 12.754
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0484 
       Octanol/air (Koa) model:  1.39 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.636 
       Mackay model           :  0.795 
       Octanol/air (Koa) model:  0.991 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  82.9019 E-12 cm3/molecule-sec
      Half-Life =     0.129 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.548 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.715 (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    :  4551  L/kg (MCI method)
      Log Koc:  3.658       (MCI method)
      Koc    :  6466  L/kg (Kow method)
      Log Koc:  3.811       (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 = 2.934 (BCF = 859.4 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.0780 days (HL = 1.197 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.672 (BCF = 470.4)
   Log BAF Arnot-Gobas method (upper trophic) = 2.675 (BAF = 473.6)
       log Kow used: 4.95 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.84E-010 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 2.891E+006  hours   (1.204E+005 days)
    Half-Life from Model Lake : 3.153E+007  hours   (1.314E+006 days)
 
 Removal In Wastewater Treatment:
    Total removal:              76.05  percent
    Total biodegradation:        0.67  percent
    Total sludge adsorption:    75.39  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       0.00563         3.1          1000       
   Water     8.76            1.44e+003    1000       
   Soil      88.3            2.88e+003    1000       
   Sediment  2.92            1.3e+004     0          
     Persistence Time: 2.8e+003 hr