CAS Number: 406488-30-0
SMILES : CCC(CC)C(=O)N(C)c1cccc(c1)C
CHEM   : 2-ethyl-N-methyl-N-(m-tolyl)butanamide
MOL FOR: C14 H21 N1 O1 
MOL WT : 219.33
------------------------------ EPI SUMMARY (v4.00) --------------------------
 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 v1.67 estimate) =  3.36
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  327.03  (Adapted Stein & Brown method)
    Melting Pt (deg C):  94.99  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  9.64E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0129  (Modified Grain method)
    Subcooled liquid VP: 0.000459 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0612 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  46.43
       log Kow used: 3.36 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  99.775 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Amides 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.33E-007  atm-m3/mole  (4.39E-002 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:  5.992E-007 atm-m3/mole  (6.071E-002 Pa-m3/mole)
      VP:   9.64E-005 mm Hg (source: MPBPVP)
      WS:   46.4 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.36  (KowWin est)
  Log Kaw used:  -4.752  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.112
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9079
   Biowin2 (Non-Linear Model)     :   0.9594
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5854  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6682  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3100
   Biowin6 (MITI Non-Linear Model):   0.2117
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.8379
 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):  0.0612 Pa (0.000459 mm Hg)
  Log Koa (Koawin est  ): 8.112
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.9E-005 
       Octanol/air (Koa) model:  3.18E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00177 
       Mackay model           :  0.00391 
       Octanol/air (Koa) model:  0.00254 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  42.9292 E-12 cm3/molecule-sec
      Half-Life =     0.249 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.990 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00284 (Junge-Pankow, Mackay avg)
      0.00254 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  625.9  L/kg (MCI method)
      Log Koc:  2.797       (MCI method)
      Koc    :  545  L/kg (Kow method)
      Log Koc:  2.736       (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 v3.00):
   Log BCF from regression-based method = 1.887 (BCF = 77.12 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.3394 days (HL = 0.4577 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.031 (BCF = 107.3)
   Log BAF Arnot-Gobas method (upper trophic) = 2.031 (BAF = 107.3)
       log Kow used: 3.36 (estimated)
 
 Volatilization from Water:
    Henry LC:  4.33E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       2004  hours   (83.5 days)
    Half-Life from Model Lake : 2.199E+004  hours   (916.1 days)
 
 Removal In Wastewater Treatment:
    Total removal:              10.24  percent
    Total biodegradation:        0.16  percent
    Total sludge adsorption:    10.06  percent
    Total to Air:                0.02  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.238           5.98         1000       
   Water     18.5            900          1000       
   Soil      80.6            1.8e+003     1000       
   Sediment  0.638           8.1e+003     0          
     Persistence Time: 1.07e+003 hr