CAS Num: 000134-20-3
SMILES : O=C(OC)c(c(N)ccc1)c1
CHEM   : Benzoic acid, 2-amino-, methyl ester
MOL FOR: C8 H9 N1 O2 
MOL WT : 151.17
------------------------------ 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) =  2.26
    Log Kow (Exper. database match) =  1.88
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  263.57  (Adapted Stein & Brown method)
    Melting Pt (deg C):  55.76  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0197  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  2.63  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  24.5 deg C
    BP  (exp database):  256 deg C
    VP  (exp database):  2.71E-02 mm Hg (3.61E+000 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1860
       log Kow used: 1.88 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  2850 mg/L (25 deg C)
        Exper. Ref:  BEILSTEIN

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  5709 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.23E-008  atm-m3/mole  (1.24E-003 Pa-m3/mole)
   Group Method:   7.39E-009  atm-m3/mole  (7.48E-004 Pa-m3/mole)
   Exper Database: 1.89E-06  atm-m3/mole  (1.92E-001 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:  2.107E-006 atm-m3/mole  (2.135E-001 Pa-m3/mole)
      VP:   0.0197 mm Hg (source: MPBPVP)
      WS:   1.86E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.88  (exp database)
  Log Kaw used:  -4.112  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  5.992
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6160
   Biowin2 (Non-Linear Model)     :   0.9541
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8704  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7502  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4817
   Biowin6 (MITI Non-Linear Model):   0.4704
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2688
 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):  3.61 Pa (0.0271 mm Hg)
  Log Koa (Koawin est  ): 5.992
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.3E-007 
       Octanol/air (Koa) model:  2.41E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3E-005 
       Mackay model           :  6.64E-005 
       Octanol/air (Koa) model:  1.93E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  34.8020 E-12 cm3/molecule-sec
      Half-Life =     0.307 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.688 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      4.82E-005 (Junge-Pankow, Mackay avg)
      1.93E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  33.02  L/kg (MCI method)
      Log Koc:  1.519       (MCI method)
      Koc    :  75.47  L/kg (Kow method)
      Log Koc:  1.878       (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 = 0.907 (BCF = 8.08 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.5135 days (HL = 0.03065 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.626 (BCF = 4.227)
   Log BAF Arnot-Gobas method (upper trophic) = 0.626 (BAF = 4.227)
       log Kow used: 1.88 (expkow database)

 Volatilization from Water:
    Henry LC:  1.89E-006 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      382.1  hours   (15.92 days)
    Half-Life from Model Lake :       4272  hours   (178 days)

 Removal In Wastewater Treatment:
    Total removal:               2.25  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     2.05  percent
    Total to Air:                0.11  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.805           7.38         1000       
   Water     32.9            360          1000       
   Soil      66.2            720          1000       
   Sediment  0.105           3.24e+003    0          
     Persistence Time: 410 hr