UC8045000

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) =  2.58

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  59.77  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -103.10  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  154  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  68 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  772.2
       log Kow used: 2.58 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1000 mg/L (25 deg C)
        Exper. Ref:  SHIU,WY ET AL. (1990)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1768.8 mg/L
    Wat Sol (Exper. database match) =  1000.00
       Exper. Ref:  SHIU,WY ET AL. (1990)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.09E-001  atm-m3/mole
   Group Method:   8.10E-002  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  2.376E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.58  (KowWin est)
  Log Kaw used:  0.649  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  1.931
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5930
   Biowin2 (Non-Linear Model)     :   0.4676
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8259  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6165  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4508
   Biowin6 (MITI Non-Linear Model):   0.3407
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5888
 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):  2.01E+004 Pa (151 mm Hg)
  Log Koa (Koawin est  ): 1.931
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.49E-010 
       Octanol/air (Koa) model:  2.09E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.38E-009 
       Mackay model           :  1.19E-008 
       Octanol/air (Koa) model:  1.68E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  18.5210 E-12 cm3/molecule-sec
      Half-Life =     0.578 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.930 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.057306 E-17 cm3/molecule-sec
      Half-Life =     1.084 Days (at 7E11 mol/cm3)
      Half-Life =     26.013 Hrs
   Fraction sorbed to airborne particulates (phi): 8.65E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  67.7
      Log Koc:  1.831 

 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 = 1.289 (BCF = 19.45)
       log Kow used: 2.58 (estimated)

 Volatilization from Water:
    Henry LC:  0.081 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:     0.9779  hours   (58.67 min)
    Half-Life from Model Lake :      90.46  hours   (3.769 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              96.93  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     1.20  percent
    Total to Air:               95.71  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       12.4            9.04         1000       
   Water     80.9            360          1000       
   Soil      6.15            720          1000       
   Sediment  0.642           3.24e+003    0          
     Persistence Time: 76.1 hr