TX9662500

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) =  2.92

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  50.61  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -85.72  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  135  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -33.8 deg C
    BP  (exp database):  69.3 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  343.5
       log Kow used: 2.92 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1080.6 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.61E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  5.843E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.92  (KowWin est)
  Log Kaw used:  -0.182  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.102
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2870
   Biowin2 (Non-Linear Model)     :   0.0176
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3910  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3301  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4466
   Biowin6 (MITI Non-Linear Model):   0.1713
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3134
 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):  1.76E+004 Pa (132 mm Hg)
  Log Koa (Koawin est  ): 3.102
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.7E-010 
       Octanol/air (Koa) model:  3.1E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.16E-009 
       Mackay model           :  1.36E-008 
       Octanol/air (Koa) model:  2.48E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0680 E-12 cm3/molecule-sec
      Half-Life =   157.294 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 9.9E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  48.64
      Log Koc:  1.687 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  9.158E-010  L/mol-sec
  Kb Half-Life at pH 8: 2.398E+007  years  
  Kb Half-Life at pH 7: 2.398E+008  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 1.546 (BCF = 35.12)
       log Kow used: 2.92 (estimated)

 Volatilization from Water:
    Henry LC:  0.0161 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.123  hours
    Half-Life from Model Lake :      101.4  hours   (4.224 days)

 Removal In Wastewater Treatment:
    Total removal:              86.47  percent
    Total biodegradation:        0.04  percent
    Total sludge adsorption:     2.54  percent
    Total to Air:               83.90  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       40.4            3.78e+003    1000       
   Water     38.6            900          1000       
   Soil      20.3            1.8e+003     1000       
   Sediment  0.737           8.1e+003     0          
     Persistence Time: 205 hr