Phenanthrene

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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) =  4.46
       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):  4.32E-005  (Modified Grain method)
    MP  (exp database):  99.2 deg C
    BP  (exp database):  340 deg C
    VP  (exp database):  1.21E-04 mm Hg at 25 deg C
    Subcooled liquid VP: 0.000656 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):  0.677
       log Kow used: 4.46 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1.15 mg/L (25 deg C)
        Exper. Ref:  SCHWARZ,FP (1977)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.95887 mg/L
    Wat Sol (Exper. database match) =  1.15
       Exper. Ref:  SCHWARZ,FP (1977)

 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: 4.23E-05  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.497E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.46  (exp database)
  Log Kaw used:  -2.762  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  7.222
      Log Koa (experimental database):  7.570

 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) :   1.1752
     BioHC Half-Life (days)     :  14.9681

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.0875 Pa (0.000656 mm Hg)
  Log Koa (Exp database): 7.570
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.43E-005 
       Octanol/air (Koa) model:  9.12E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00124 
       Mackay model           :  0.00274 
       Octanol/air (Koa) model:  0.000729 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  13.0000 E-12 cm3/molecule-sec
      Half-Life =     0.823 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     9.873 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.00199 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.083E+004
      Log Koc:  4.319 

 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 = 2.734 (BCF = 542.3)
       log Kow used: 4.46 (expkow database)

 Volatilization from Water:
    Henry LC:  4.23E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      19.84  hours
    Half-Life from Model Lake :      328.4  hours   (13.68 days)

 Removal In Wastewater Treatment:
    Total removal:              54.55  percent
    Total biodegradation:        0.50  percent
    Total sludge adsorption:    53.07  percent
    Total to Air:                0.98  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.503           19.7         1000       
   Water     10.3            1.44e+003    1000       
   Soil      80              2.88e+003    1000       
   Sediment  9.22            1.3e+004     0          
     Persistence Time: 1.73e+003 hr