CAS Number: 134-32-7
SMILES : c(c(c(N)cc1)ccc2)(c2)c1
CHEM   : 1-Naphthalenamine
MOL FOR: C10 H9 N1 
MOL WT : 143.19
------------------------------ EPI SUMMARY (v4.11) --------------------------
 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) =  2.25
    Log Kow (Exper. database match) =  2.25
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  293.14  (Adapted Stein & Brown method)
    Melting Pt (deg C):  70.85  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00112  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.15  (Modified Grain method)
    MP  (exp database):  49.2 deg C
    BP  (exp database):  300.8 deg C
    VP  (exp database):  4.18E-03 mm Hg (5.57E-001 Pa) at 25 deg C
    Subcooled liquid VP: 0.00725 mm Hg (25 deg C, exp database VP )
                       : 0.967 Pa  (25 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  972.7
       log Kow used: 2.25 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1700 mg/L (20 deg C)
        Exper. Ref:  DRAGUN,J & HELLING,CS (1985)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  511.81 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Anilines (Unhindered)
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.86E-007  atm-m3/mole  (1.88E-002 Pa-m3/mole)
   Group Method:   1.51E-007  atm-m3/mole  (1.53E-002 Pa-m3/mole)
   Exper Database: 1.11E-07  atm-m3/mole  (1.12E-002 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:  2.169E-007 atm-m3/mole  (2.198E-002 Pa-m3/mole)
      VP:   0.00112 mm Hg (source: MPBPVP)
      WS:   973 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.25  (exp database)
  Log Kaw used:  -5.343  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  7.593
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4456
   Biowin2 (Non-Linear Model)     :   0.2826
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7478  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5328  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1860
   Biowin6 (MITI Non-Linear Model):   0.1199
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1097
 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):  0.967 Pa (0.00725 mm Hg)
  Log Koa (Koawin est  ): 7.593
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.1E-006 
       Octanol/air (Koa) model:  9.62E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000112 
       Mackay model           :  0.000248 
       Octanol/air (Koa) model:  0.000769 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 200.0000 E-12 cm3/molecule-sec
      Half-Life =     0.053 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.642 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00018 (Junge-Pankow, Mackay avg)
      0.000769 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2528  L/kg (MCI method)
      Log Koc:  3.403       (MCI method)
      Koc    :  89.61  L/kg (Kow method)
      Log Koc:  1.952       (Kow method)
       Experimental Log Koc:  3.51  (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 = 1.152 (BCF = 14.18 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.3608 days (HL = 0.4357 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.251 (BCF = 17.84)
   Log BAF Arnot-Gobas method (upper trophic) = 1.251 (BAF = 17.84)
       log Kow used: 2.25 (expkow database)
 
 Volatilization from Water:
    Henry LC:  1.11E-007 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:       6313  hours   (263 days)
    Half-Life from Model Lake : 6.897E+004  hours   (2874 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.56  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.46  percent
    Total to Air:                0.01  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0527          1.28         1000       
   Water     17.2            900          1000       
   Soil      80.3            1.8e+003     1000       
   Sediment  2.47            8.1e+003     0          
     Persistence Time: 1.1e+003 hr