CAS Num: 000551-93-9
SMILES : O=C(c(c(N)ccc1)c1)C
CHEM   : Ethanone, 1-(2-aminophenyl)-
MOL FOR: C8 H9 N1 O1 
MOL WT : 135.17
------------------------------ 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) =  1.57
    Log Kow (Exper. database match) =  1.63
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  258.46  (Adapted Stein & Brown method)
    Melting Pt (deg C):  51.13  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0258  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  3.44  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  20 deg C
    BP  (exp database):  251 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3555
       log Kow used: 1.63 (expkow database)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  81418 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.47E-009  atm-m3/mole  (3.51E-004 Pa-m3/mole)
   Group Method:   4.45E-009  atm-m3/mole  (4.51E-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:  1.291E-006 atm-m3/mole  (1.308E-001 Pa-m3/mole)
      VP:   0.0258 mm Hg (source: MPBPVP)
      WS:   3.56E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.63  (exp database)
  Log Kaw used:  -6.848  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.478
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4563
   Biowin2 (Non-Linear Model)     :   0.2191
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7430  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5221  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3034
   Biowin6 (MITI Non-Linear Model):   0.2194
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2949
 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):  3.37 Pa (0.0253 mm Hg)
  Log Koa (Koawin est  ): 8.478
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.89E-007 
       Octanol/air (Koa) model:  7.38E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.21E-005 
       Mackay model           :  7.11E-005 
       Octanol/air (Koa) model:  0.00587 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  98.2316 E-12 cm3/molecule-sec
      Half-Life =     0.109 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.307 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      5.16E-005 (Junge-Pankow, Mackay avg)
      0.00587 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  25.49  L/kg (MCI method)
      Log Koc:  1.406       (MCI method)
      Koc    :  100.2  L/kg (Kow method)
      Log Koc:  2.001       (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 = 0.157 (BCF = 1.437 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.9688 days (HL = 0.1074 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.635 (BCF = 4.319)
   Log BAF Arnot-Gobas method (upper trophic) = 0.635 (BAF = 4.319)
       log Kow used: 1.63 (expkow database)

 Volatilization from Water:
    Henry LC:  4.45E-009 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:  1.53E+005  hours   (6374 days)
    Half-Life from Model Lake : 1.669E+006  hours   (6.953E+004 days)

 Removal In Wastewater Treatment:
    Total removal:               2.02  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.92  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       0.0358          2.61         1000       
   Water     28.7            900          1000       
   Soil      71.1            1.8e+003     1000       
   Sediment  0.0896          8.1e+003     0          
     Persistence Time: 1.13e+003 hr