CAS Number: 101-21-3
SMILES : CC(C)OC(=O)Nc1cccc(CL)c1
CHEM   : Chloropham
MOL FOR: C10 H12 CL1 N1 O2 
MOL WT : 213.67
------------------------------ 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) =  3.30
    Log Kow (Exper. database match) =  3.51
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  283.19  (Adapted Stein & Brown method)
    Melting Pt (deg C):  64.92  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0034  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.453  (Modified Grain method)
    MP  (exp database):  41 deg C
    VP  (exp database):  1.80E-04 mm Hg (2.40E-002 Pa) at 20 deg C
    Subcooled liquid VP: 0.000259 mm Hg (20 deg C, exp database VP )
                       : 0.0345 Pa  (20 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  37.39
       log Kow used: 3.51 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  89 mg/L (25 deg C)
        Exper. Ref:  TOMLIN,C (2003)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  49.06 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Carbamate Esters 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.85E-008  atm-m3/mole  (2.89E-003 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 5.69E-07  atm-m3/mole  (5.77E-002 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:  2.557E-005 atm-m3/mole  (2.590E+000 Pa-m3/mole)
      VP:   0.0034 mm Hg (source: MPBPVP)
      WS:   37.4 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.51  (exp database)
  Log Kaw used:  -4.633  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  8.143
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5429
   Biowin2 (Non-Linear Model)     :   0.2628
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4737  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5678  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0222
   Biowin6 (MITI Non-Linear Model):   0.0464
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2729
 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):  0.0345 Pa (0.000259 mm Hg)
  Log Koa (Koawin est  ): 8.143
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.69E-005 
       Octanol/air (Koa) model:  3.41E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00313 
       Mackay model           :  0.0069 
       Octanol/air (Koa) model:  0.00272 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  39.6548 E-12 cm3/molecule-sec
      Half-Life =     0.270 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.237 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00501 (Junge-Pankow, Mackay avg)
      0.00272 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  350.7  L/kg (MCI method)
      Log Koc:  2.545       (MCI method)
      Koc    :  578.7  L/kg (Kow method)
      Log Koc:  2.762       (Kow method)
       Experimental Log Koc:  2.6  (database)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  5.928E-004  L/mol-sec
  Kb Half-Life at pH 8:      37.050  years  
  Kb Half-Life at pH 7:     370.503  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.983 (BCF = 96.14 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.4682 days (HL = 0.3403 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.004 (BCF = 100.8)
   Log BAF Arnot-Gobas method (upper trophic) = 2.004 (BAF = 100.8)
       log Kow used: 3.51 (expkow database)
 
 Volatilization from Water:
    Henry LC:  5.69E-007 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:       1506  hours   (62.73 days)
    Half-Life from Model Lake : 1.655E+004  hours   (689.5 days)
 
 Removal In Wastewater Treatment:
    Total removal:              13.29  percent
    Total biodegradation:        0.19  percent
    Total sludge adsorption:    13.07  percent
    Total to Air:                0.03  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.269           6.47         1000       
   Water     19.6            900          1000       
   Soil      79.7            1.8e+003     1000       
   Sediment  0.384           8.1e+003     0          
     Persistence Time: 1.03e+003 hr