CAS Num: 010072-05-6
SMILES : c(ccc1C(=O)OC)cc1N(C)C
CHEM   : BENZOIC ACID, 2-(DIMETHYLAMINO)-, METHYL ESTER
MOL FOR: C10 H13 N1 O2 
MOL WT : 179.22
------------------------------ 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) =  3.36

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  251.65  (Adapted Stein & Brown method)
    Melting Pt (deg C):  38.16  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0186  (Modified Grain method)
    VP (Pa, 25 deg C) :  2.48  (Modified Grain method)
    Subcooled liquid VP: 0.0244 mm Hg (25 deg C, Mod-Grain method)
                       : 3.26 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  75.12
       log Kow used: 3.36 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1541.5 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.52E-007  atm-m3/mole  (5.59E-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:  5.839E-005 atm-m3/mole  (5.916E+000 Pa-m3/mole)
      VP:   0.0186 mm Hg (source: MPBPVP)
      WS:   75.1 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:  -4.647  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.007
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6311
   Biowin2 (Non-Linear Model)     :   0.9105
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6885  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5301  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4720
   Biowin6 (MITI Non-Linear Model):   0.3769
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.6874
 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):  3.25 Pa (0.0244 mm Hg)
  Log Koa (Koawin est  ): 8.007
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.22E-007 
       Octanol/air (Koa) model:  2.49E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.33E-005 
       Mackay model           :  7.38E-005 
       Octanol/air (Koa) model:  0.00199 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 121.5646 E-12 cm3/molecule-sec
      Half-Life =     0.088 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.056 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      5.35E-005 (Junge-Pankow, Mackay avg)
      0.00199 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  36.99  L/kg (MCI method)
      Log Koc:  1.568       (MCI method)
      Koc    :  449.6  L/kg (Kow method)
      Log Koc:  2.653       (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 = 1.884 (BCF = 76.48 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.1345 days (HL = 0.07336 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.442 (BCF = 27.65)
   Log BAF Arnot-Gobas method (upper trophic) = 1.442 (BAF = 27.65)
       log Kow used: 3.36 (estimated)

 Volatilization from Water:
    Henry LC:  5.52E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1421  hours   (59.22 days)
    Half-Life from Model Lake : 1.562E+004  hours   (650.7 days)

 Removal In Wastewater Treatment:
    Total removal:              10.25  percent
    Total biodegradation:        0.16  percent
    Total sludge adsorption:    10.06  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       0.132           2.11         1000       
   Water     32              900          1000       
   Soil      67.7            1.8e+003     1000       
   Sediment  0.117           8.1e+003     0          
     Persistence Time: 785 hr