CAS Number: 120-12-7
SMILES : c(c(ccc1)cc(c2ccc3)c3)(c1)c2
CHEM   : Anthracene
MOL FOR: C14 H10 
MOL WT : 178.24
------------------------------ 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) =  4.35
    Log Kow (Exper. database match) =  4.45
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  327.31  (Adapted Stein & Brown method)
    Melting Pt (deg C):  78.09  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.17E-006  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.000289  (Modified Grain method)
    MP  (exp database):  215.0 deg C
    BP  (exp database):  339.9 deg C
    VP  (exp database):  6.53E-06 mm Hg (8.71E-004 Pa) at 25 deg C
    Subcooled liquid VP: 0.000494 mm Hg (25 deg C, exp database VP )
                       : 0.0659 Pa  (25 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.6905
       log Kow used: 4.45 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  0.0434 mg/L (24 deg C)
        Exper. Ref:  MAY,WE ET AL. (1983)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.95887 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.13E-005  atm-m3/mole  (5.20E+000 Pa-m3/mole)
   Group Method:   2.56E-005  atm-m3/mole  (2.60E+000 Pa-m3/mole)
   Exper Database: 5.56E-05  atm-m3/mole  (5.63E+000 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:  7.370E-007 atm-m3/mole  (7.468E-002 Pa-m3/mole)
      VP:   2.17E-006 mm Hg (source: MPBPVP)
      WS:   0.691 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.45  (exp database)
  Log Kaw used:  -2.643  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  7.093
      Log Koa (experimental database):  7.550
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9819
   Biowin2 (Non-Linear Model)     :   0.9995
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2194  (months      )
   Biowin4 (Primary Survey Model) :   3.2478  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2641
   Biowin6 (MITI Non-Linear Model):   0.1949
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3817
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   2.0899
     BioHC Half-Life (days)     : 123.0000
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.0659 Pa (0.000494 mm Hg)
  Log Koa (Exp database): 7.550
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.55E-005 
       Octanol/air (Koa) model:  8.71E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00164 
       Mackay model           :  0.00363 
       Octanol/air (Koa) model:  0.000696 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  40.0000 E-12 cm3/molecule-sec
      Half-Life =     0.267 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.209 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00264 (Junge-Pankow, Mackay avg)
      0.000696 (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    :  7274  L/kg (Kow method)
      Log Koc:  3.862       (Kow method)
       Experimental Log Koc:  4.31  (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 = 2.603 (BCF = 401 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.4040 days (HL = 2.535 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.050 (BCF = 1121)
   Log BAF Arnot-Gobas method (upper trophic) = 3.061 (BAF = 1151)
       log Kow used: 4.45 (expkow database)
 
 Volatilization from Water:
    Henry LC:  5.56E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      15.42  hours
    Half-Life from Model Lake :      280.2  hours   (11.67 days)
 
 Removal In Wastewater Treatment:
    Total removal:              54.22  percent
    Total biodegradation:        0.49  percent
    Total sludge adsorption:    52.45  percent
    Total to Air:                1.28  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.187           6.42         1000       
   Water     9.26            1.44e+003    1000       
   Soil      79              2.88e+003    1000       
   Sediment  11.6            1.3e+004     0          
     Persistence Time: 1.8e+003 hr