LU0350000

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) =  1.61

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  149.40  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -43.04  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.12  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4226
       log Kow used: 1.61 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  18190 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.94E-005  atm-m3/mole
   Group Method:   5.23E-006  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.547E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.61  (KowWin est)
  Log Kaw used:  -2.793  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.403
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2314
   Biowin2 (Non-Linear Model)     :   0.0182
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7509  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5634  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4770
   Biowin6 (MITI Non-Linear Model):   0.3336
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2696
 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):  503 Pa (3.77 mm Hg)
  Log Koa (Koawin est  ): 4.403
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.97E-009 
       Octanol/air (Koa) model:  6.21E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.16E-007 
       Mackay model           :  4.77E-007 
       Octanol/air (Koa) model:  4.97E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   8.0032 E-12 cm3/molecule-sec
      Half-Life =     1.336 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    16.038 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 3.47E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  15.28
      Log Koc:  1.184 

 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 = 0.538 (BCF = 3.455)
       log Kow used: 1.61 (estimated)

 Volatilization from Water:
    Henry LC:  3.94E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      17.44  hours
    Half-Life from Model Lake :      282.3  hours   (11.76 days)

 Removal In Wastewater Treatment:
    Total removal:               4.06  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.88  percent
    Total to Air:                2.09  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.94            32.1         1000       
   Water     36.4            360          1000       
   Soil      59.6            720          1000       
   Sediment  0.0921          3.24e+003    0          
     Persistence Time: 347 hr