CAS Number: 108-44-1
SMILES : Nc(cccc1C)c1
CHEM   : Benzenamine, 3-methyl-
MOL FOR: C7 H9 N1 
MOL WT : 107.16
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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 v1.68 estimate) =  1.62
    Log Kow (Exper. database match) =  1.40
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  204.16  (Adapted Stein & Brown method)
    Melting Pt (deg C):  11.62  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.306  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  40.8  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -31.2 deg C
    BP  (exp database):  203.3 deg C
    VP  (exp database):  3.03E-01 mm Hg (4.04E+001 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  7085
       log Kow used: 1.40 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1.5e+004 mg/L (20 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  6449 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 :   2.10E-006  atm-m3/mole  (2.13E-001 Pa-m3/mole)
   Group Method:   2.34E-006  atm-m3/mole  (2.37E-001 Pa-m3/mole)
   Exper Database: 1.66E-06  atm-m3/mole  (1.68E-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:  6.090E-006 atm-m3/mole  (6.170E-001 Pa-m3/mole)
      VP:   0.306 mm Hg (source: MPBPVP)
      WS:   7.09E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.40  (exp database)
  Log Kaw used:  -4.168  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  5.568
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5175
   Biowin2 (Non-Linear Model)     :   0.5392
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7526  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5162  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3100
   Biowin6 (MITI Non-Linear Model):   0.2677
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1952
 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):  40.4 Pa (0.303 mm Hg)
  Log Koa (Koawin est  ): 5.568
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.43E-008 
       Octanol/air (Koa) model:  9.08E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.68E-006 
       Mackay model           :  5.94E-006 
       Octanol/air (Koa) model:  7.26E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 200.1360 E-12 cm3/molecule-sec
      Half-Life =     0.053 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.641 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      4.31E-006 (Junge-Pankow, Mackay avg)
      7.26E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  112.7  L/kg (MCI method)
      Log Koc:  2.052       (MCI method)
      Koc    :  47.63  L/kg (Kow method)
      Log Koc:  1.678       (Kow method)
       Experimental Log Koc:  1.53  (database)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
    Rate constants can NOT be estimated for this structure!
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 0.591 (BCF = 3.897 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.9418 days (HL = 0.1143 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.478 (BCF = 3.003)
   Log BAF Arnot-Gobas method (upper trophic) = 0.478 (BAF = 3.003)
       log Kow used: 1.40 (expkow database)
 
 Volatilization from Water:
    Henry LC:  1.66E-006 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      366.2  hours   (15.26 days)
    Half-Life from Model Lake :       4081  hours   (170.1 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.04  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.85  percent
    Total to Air:                0.09  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.141           1.28         1000       
   Water     27.9            360          1000       
   Soil      71.8            720          1000       
   Sediment  0.177           3.24e+003    0          
     Persistence Time: 438 hr