CAS Number: 260-94-6
SMILES : n(c(c(ccc1)cc2cccc3)c1)c23
CHEM   : Acridine
MOL FOR: C13 H9 N1 
MOL WT : 179.22
------------------------------ 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) =  3.32
    Log Kow (Exper. database match) =  3.40
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  333.25  (Adapted Stein & Brown method)
    Melting Pt (deg C):  100.28  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.59E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00345  (Modified Grain method)
    MP  (exp database):  108 deg C
    BP  (exp database):  345.5 deg C
    VP  (exp database):  1.35E-04 mm Hg (1.80E-002 Pa) at 25 deg C
    Subcooled liquid VP: 0.000894 mm Hg (25 deg C, exp database VP )
                       : 0.119 Pa  (25 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  5.383
       log Kow used: 3.40 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  38.4 mg/L (25 deg C)
        Exper. Ref:  BANWART,WL ET AL. (1982)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  176.02 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.72E-008  atm-m3/mole  (6.81E-003 Pa-m3/mole)
   Group Method:   3.97E-007  atm-m3/mole  (4.02E-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:  1.135E-006 atm-m3/mole  (1.150E-001 Pa-m3/mole)
      VP:   2.59E-005 mm Hg (source: MPBPVP)
      WS:   5.38 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.40  (exp database)
  Log Kaw used:  -5.561  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.961
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6622
   Biowin2 (Non-Linear Model)     :   0.6139
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8031  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5892  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2529
   Biowin6 (MITI Non-Linear Model):   0.1726
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0228
 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):  0.119 Pa (0.000894 mm Hg)
  Log Koa (Koawin est  ): 8.961
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.52E-005 
       Octanol/air (Koa) model:  0.000224 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000908 
       Mackay model           :  0.00201 
       Octanol/air (Koa) model:  0.0176 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  27.4998 E-12 cm3/molecule-sec
      Half-Life =     0.389 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.667 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00146 (Junge-Pankow, Mackay avg)
      0.0176 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.636E+004  L/kg (MCI method)
      Log Koc:  4.214       (MCI method)
      Koc    :  892.2  L/kg (Kow method)
      Log Koc:  2.950       (Kow method)
       Experimental Log Koc:  4.18  (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 = 1.910 (BCF = 81.34 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.2879 days (HL = 0.5154 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.075 (BCF = 118.9)
   Log BAF Arnot-Gobas method (upper trophic) = 2.075 (BAF = 119)
       log Kow used: 3.40 (expkow database)
 
 Volatilization from Water:
    Henry LC:  3.97E-007 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       1976  hours   (82.32 days)
    Half-Life from Model Lake : 2.167E+004  hours   (902.7 days)
 
 Removal In Wastewater Treatment:
    Total removal:              10.97  percent
    Total biodegradation:        0.17  percent
    Total sludge adsorption:    10.78  percent
    Total to Air:                0.02  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.679           9.33         1000       
   Water     20.7            360          1000       
   Soil      68.8            720          1000       
   Sediment  9.9             3.24e+003    0          
     Persistence Time: 537 hr