Pyrene

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) =  4.93
    Log Kow (Exper. database match) =  4.88
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  371.85  (Adapted Stein & Brown method)
    Melting Pt (deg C):  119.90  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.44E-007  (Modified Grain method)
    MP  (exp database):  151.2 deg C
    BP  (exp database):  404 deg C
    VP  (exp database):  4.50E-06 mm Hg at 25 deg C
    Subcooled liquid VP: 7.97E-005 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):  0.2249
       log Kow used: 4.88 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  0.135 mg/L (25 deg C)
        Exper. Ref:  MILLER,MM ET AL. (1985)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.090524 mg/L
    Wat Sol (Exper. database match) =  0.14
       Exper. Ref:  MILLER,MM ET AL. (1985)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   8.30E-006  atm-m3/mole
   Group Method:   2.94E-006  atm-m3/mole
   Exper Database: 1.19E-05  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  4.071E-007 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.88  (exp database)
  Log Kaw used:  -3.313  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  8.193
      Log Koa (experimental database):  8.800

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.0060
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.9529  (months      )
   Biowin4 (Primary Survey Model) :   2.8537  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1926
   Biowin6 (MITI Non-Linear Model):   0.1079
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1182
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   2.4524
     BioHC Half-Life (days)     : 283.3784

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.0106 Pa (7.97E-005 mm Hg)
  Log Koa (Exp database): 8.800
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000282 
       Octanol/air (Koa) model:  0.000155 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0101 
       Mackay model           :  0.0221 
       Octanol/air (Koa) model:  0.0122 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  50.0000 E-12 cm3/molecule-sec
      Half-Life =     0.214 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.567 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.0161 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  6.941E+004
      Log Koc:  4.841 

 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 = 3.058 (BCF = 1142)
       log Kow used: 4.88 (expkow database)

 Volatilization from Water:
    Henry LC:  1.19E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      71.42  hours   (2.976 days)
    Half-Life from Model Lake :      898.4  hours   (37.43 days)

 Removal In Wastewater Treatment:
    Total removal:              73.61  percent
    Total biodegradation:        0.65  percent
    Total sludge adsorption:    72.81  percent
    Total to Air:                0.15  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.112           5.13         1000       
   Water     9.15            1.44e+003    1000       
   Soil      69.3            2.88e+003    1000       
   Sediment  21.4            1.3e+004     0          
     Persistence Time: 2.08e+003 hr