DI3325000

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) =  5.86
    Log Kow (Exper. database match) =  5.40
       Exper. Ref:  Tomlin,C (2003)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  413.69  (Adapted Stein & Brown method)
    Melting Pt (deg C):  157.62  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.51E-006  (Modified Grain method)
    MP  (exp database):  45.5 deg C
    VP  (exp database):  4.80E-06 mm Hg at 25 deg C
    Subcooled liquid VP: 7.66E-006 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):  0.03892
       log Kow used: 5.40 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  0.08 mg/L (25 deg C)
        Exper. Ref:  USDA PESTICIDE PROP DATABASE

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.039603 mg/L
    Wat Sol (Exper. database match) =  0.08
       Exper. Ref:  USDA PESTICIDE PROP DATABASE

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.44E-007  atm-m3/mole
   Group Method:   Incomplete
   Exper Database: 3.19E-05  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  3.421E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.40  (exp database)
  Log Kaw used:  -2.885  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  8.285
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9246
   Biowin2 (Non-Linear Model)     :   0.9890
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3925  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3919  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5752
   Biowin6 (MITI Non-Linear Model):   0.3565
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5757
 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):  0.00102 Pa (7.66E-006 mm Hg)
  Log Koa (Koawin est  ): 8.285
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00294 
       Octanol/air (Koa) model:  4.73E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0959 
       Mackay model           :  0.19 
       Octanol/air (Koa) model:  0.00377 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   7.3987 E-12 cm3/molecule-sec
      Half-Life =     1.446 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    17.348 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.143 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  4847
      Log Koc:  3.686 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  5.078E+000  L/mol-sec
  Kb Half-Life at pH 8:       1.580  days   
  Kb Half-Life at pH 7:      15.797  days   

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 3.458 (BCF = 2871)
       log Kow used: 5.40 (expkow database)

 Volatilization from Water:
    Henry LC:  3.19E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:       38.9  hours   (1.621 days)
    Half-Life from Model Lake :      592.7  hours   (24.7 days)

 Removal In Wastewater Treatment:
    Total removal:              86.92  percent
    Total biodegradation:        0.74  percent
    Total sludge adsorption:    86.05  percent
    Total to Air:                0.13  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.686           34.7         1000       
   Water     7.67            900          1000       
   Soil      51.3            1.8e+003     1000       
   Sediment  40.4            8.1e+003     0          
     Persistence Time: 1.72e+003 hr