CAS Number: 50563-36-5
SMILES : O=C(N(c(c(ccc1)C)c1C)CCOC)CCL
CHEM   : Acetamide, 2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)-
MOL FOR: C13 H18 CL1 N1 O2 
MOL WT : 255.75
------------------------------ 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) =  2.33
    Log Kow (Exper. database match) =  2.17
       Exper. Ref:  TOMLIN,C (1997)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  366.57  (Adapted Stein & Brown method)
    Melting Pt (deg C):  120.55  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000431  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0575  (Modified Grain method)
    MP  (exp database):  46 deg C
    BP  (exp database):  320 deg C
    VP  (exp database):  1.13E-05 mm Hg (1.51E-003 Pa) at 25 deg C
    Subcooled liquid VP: 1.82E-005 mm Hg (25 deg C, exp database VP )
                       : 0.00243 Pa  (25 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  308.2
       log Kow used: 2.17 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  2300 mg/L (20 deg C)
        Exper. Ref:  TOMLIN,C (1997)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1451.5 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Haloacetamides
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.43E-010  atm-m3/mole  (8.54E-005 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 1.65E-09  atm-m3/mole  (1.67E-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:  4.706E-007 atm-m3/mole  (4.768E-002 Pa-m3/mole)
      VP:   0.000431 mm Hg (source: MPBPVP)
      WS:   308 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.17  (exp database)
  Log Kaw used:  -7.171  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  9.341
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4865
   Biowin2 (Non-Linear Model)     :   0.1131
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2482  (months      )
   Biowin4 (Primary Survey Model) :   3.4368  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3367
   Biowin6 (MITI Non-Linear Model):   0.0805
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.0351
 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):  0.00243 Pa (1.82E-005 mm Hg)
  Log Koa (Koawin est  ): 9.341
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00124 
       Octanol/air (Koa) model:  0.000538 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0427 
       Mackay model           :  0.09 
       Octanol/air (Koa) model:  0.0413 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  40.4371 E-12 cm3/molecule-sec
      Half-Life =     0.265 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.174 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.0664 (Junge-Pankow, Mackay avg)
      0.0413 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  156.4  L/kg (MCI method)
      Log Koc:  2.194       (MCI method)
      Koc    :  97.19  L/kg (Kow method)
      Log Koc:  1.988       (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 = 1.099 (BCF = 12.55 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.9128 days (HL = 0.1222 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.056 (BCF = 11.39)
   Log BAF Arnot-Gobas method (upper trophic) = 1.056 (BAF = 11.39)
       log Kow used: 2.17 (expkow database)
 
 Volatilization from Water:
    Henry LC:  1.65E-009 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River: 5.675E+005  hours   (2.364E+004 days)
    Half-Life from Model Lake : 6.191E+006  hours   (2.579E+005 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.44  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.34  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       0.00885         6.35         1000       
   Water     14              1.44e+003    1000       
   Soil      85.8            2.88e+003    1000       
   Sediment  0.141           1.3e+004     0          
     Persistence Time: 2.35e+003 hr