O02SWY8981

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) =  4.66

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  487.98  (Adapted Stein & Brown method)
    Melting Pt (deg C):  194.27  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.99E-013  (Modified Grain method)
    Subcooled liquid VP: 4.8E-011 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.4223
       log Kow used: 4.66 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  43.736 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Esters
       Vinyl/Allyl Alcohols

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.80E-010  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  9.473E-013 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.66  (KowWin est)
  Log Kaw used:  -7.707  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  12.367
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9825
   Biowin2 (Non-Linear Model)     :   0.9827
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9046  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9022  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7551
   Biowin6 (MITI Non-Linear Model):   0.3299
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3084
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  6.4E-009 Pa (4.8E-011 mm Hg)
  Log Koa (Koawin est  ): 12.367
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  469 
       Octanol/air (Koa) model:  0.571 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  0.979 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 143.9580 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 151.5580 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    0.892 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    0.847 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.202500 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     1.771250 E-17 cm3/molecule-sec [Trans-]
      Half-Life =    22.872 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =    15.528 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  656.9
      Log Koc:  2.818 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  5.145E-002  L/mol-sec
  Kb Half-Life at pH 8:     155.913  days   
  Kb Half-Life at pH 7:       4.269  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 2.889 (BCF = 774.4)
       log Kow used: 4.66 (estimated)

 Volatilization from Water:
    Henry LC:  4.8E-010 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 2.379E+006  hours   (9.914E+004 days)
    Half-Life from Model Lake : 2.596E+007  hours   (1.082E+006 days)

 Removal In Wastewater Treatment:
    Total removal:              64.10  percent
    Total biodegradation:        0.58  percent
    Total sludge adsorption:    63.52  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.135           1.65         1000       
   Water     20.5            360          1000       
   Soil      68.2            720          1000       
   Sediment  11.2            3.24e+003    0          
     Persistence Time: 537 hr