Anthracene

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Predicted data is generated using the US Environmental Protection Agency�s EPISuite™

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  4.35
    Log Kow (Exper. database match) =  4.45
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    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)
    MP  (exp database):  215 deg C
    BP  (exp database):  339.9 deg C
    VP  (exp database):  6.53E-06 mm Hg at 25 deg C
    Subcooled liquid VP: 0.000494 mm Hg (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    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
    Wat Sol (Exper. database match) =  0.04
       Exper. Ref:  MAY,WE ET AL. (1983)

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.13E-005  atm-m3/mole
   Group Method:   2.56E-005  atm-m3/mole
   Exper Database: 5.56E-05  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  7.370E-007 atm-m3/mole

 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,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.04E+004
      Log Koc:  4.310 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 2.726 (BCF = 532.7)
       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       0.195           6.42         1000       
   Water     9.71            1.44e+003    1000       
   Soil      81.6            2.88e+003    1000       
   Sediment  8.53            1.3e+004     0          
     Persistence Time: 1.74e+003 hr