EJ6230000

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) =  3.07

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  111.42  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -65.43  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  18.5  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -112 deg C
    BP  (exp database):  120.4 deg C
    VP  (exp database):  3.46E+01 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  180.4
       log Kow used: 3.07 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  196 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  411.53 mg/L
    Wat Sol (Exper. database match) =  196.00
       Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.64E-002  atm-m3/mole
   Group Method:   2.74E-002  atm-m3/mole
   Exper Database: 3.46E-02  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  2.038E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.07  (KowWin est)
  Log Kaw used:  0.151  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  2.919
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6295
   Biowin2 (Non-Linear Model)     :   0.0271
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8943  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6652  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4085
   Biowin6 (MITI Non-Linear Model):   0.1690
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.9222
 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):  4.61E+003 Pa (34.6 mm Hg)
  Log Koa (Koawin est  ): 2.919
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.5E-010 
       Octanol/air (Koa) model:  2.04E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.35E-008 
       Mackay model           :  5.2E-008 
       Octanol/air (Koa) model:  1.63E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   3.5709 E-12 cm3/molecule-sec
      Half-Life =     2.995 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    35.944 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 3.78E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  124.9
      Log Koc:  2.096 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  2.621E-009  L/mol-sec
  Kb Half-Life at pH 8: 8.380E+006  years  
  Kb Half-Life at pH 7: 8.380E+007  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 1.662 (BCF = 45.87)
       log Kow used: 3.07 (estimated)

 Volatilization from Water:
    Henry LC:  0.0346 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.275  hours
    Half-Life from Model Lake :        117  hours   (4.873 days)

 Removal In Wastewater Treatment:
    Total removal:              93.20  percent
    Total biodegradation:        0.03  percent
    Total sludge adsorption:     3.13  percent
    Total to Air:               90.04  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       31.1            71.9         1000       
   Water     47.6            360          1000       
   Soil      20.4            720          1000       
   Sediment  0.907           3.24e+003    0          
     Persistence Time: 130 hr