CAS Num: 050607-64-2
SMILES : O=C(OC)c(c(N=CC(CCC)C)ccc1)c1
CHEM   : Benzoic acid, 2-[(2-methylpentylidene)amino]-, methyl ester
MOL FOR: C14 H19 N1 O2 
MOL WT : 233.31
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  3.71

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  312.29  (Adapted Stein & Brown method)
    Melting Pt (deg C):  45.75  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000656  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0874  (Modified Grain method)
    Subcooled liquid VP: 0.00101 mm Hg (25 deg C, Mod-Grain method)
                       : 0.135 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  19.79
       log Kow used: 3.71 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  118.68 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
       Schiff Bases

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.24E-005  atm-m3/mole  (3.28E+000 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:  1.018E-005 atm-m3/mole  (1.031E+000 Pa-m3/mole)
      VP:   0.000656 mm Hg (source: MPBPVP)
      WS:   19.8 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.71  (KowWin est)
  Log Kaw used:  -2.878  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.588
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8107
   Biowin2 (Non-Linear Model)     :   0.9776
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8238  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7401  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3934
   Biowin6 (MITI Non-Linear Model):   0.3623
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1078
 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):  0.135 Pa (0.00101 mm Hg)
  Log Koa (Koawin est  ): 6.588
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.23E-005 
       Octanol/air (Koa) model:  9.51E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000804 
       Mackay model           :  0.00178 
       Octanol/air (Koa) model:  7.6E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   8.9083 E-12 cm3/molecule-sec
      Half-Life =     1.201 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    14.408 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00129 (Junge-Pankow, Mackay avg)
      7.6E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  3713  L/kg (MCI method)
      Log Koc:  3.570       (MCI method)
      Koc    :  815.9  L/kg (Kow method)
      Log Koc:  2.912       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  3.998E-002  L/mol-sec
  Kb Half-Life at pH 8:     200.670  days   
  Kb Half-Life at pH 7:       5.494  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.115 (BCF = 130.4 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.7164 days (HL = 0.1921 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.851 (BCF = 71.01)
   Log BAF Arnot-Gobas method (upper trophic) = 1.851 (BAF = 71.01)
       log Kow used: 3.71 (estimated)

 Volatilization from Water:
    Henry LC:  3.24E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      29.16  hours   (1.215 days)
    Half-Life from Model Lake :      446.2  hours   (18.59 days)

 Removal In Wastewater Treatment:
    Total removal:              20.04  percent
    Total biodegradation:        0.23  percent
    Total sludge adsorption:    18.39  percent
    Total to Air:                1.42  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.23            28.8         1000       
   Water     22.1            360          1000       
   Soil      73.1            720          1000       
   Sediment  2.57            3.24e+003    0          
     Persistence Time: 473 hr