UJ5125000

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) =  2.03
    Log Kow (Exper. database match) =  2.03
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  97.09  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -75.26  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  64.8  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -126.1 deg C
    BP  (exp database):  90 deg C
    VP  (exp database):  6.25E+01 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2128
       log Kow used: 2.03 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  4900 mg/L (25 deg C)
        Exper. Ref:  RIDDICK,JA ET AL. (1986)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  5527.8 mg/L
    Wat Sol (Exper. database match) =  4900.00
       Exper. Ref:  RIDDICK,JA ET AL. (1986)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.68E-003  atm-m3/mole
   Group Method:   1.81E-003  atm-m3/mole
   Exper Database: 2.20E-03  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  4.094E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.03  (exp database)
  Log Kaw used:  -1.046  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  3.076
      Log Koa (experimental database):  2.970

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3515
   Biowin2 (Non-Linear Model)     :   0.1334
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9647  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6906  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6081
   Biowin6 (MITI Non-Linear Model):   0.7730
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5236
 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):  8.33E+003 Pa (62.5 mm Hg)
  Log Koa (Exp database): 2.970
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.6E-010 
       Octanol/air (Koa) model:  2.29E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.3E-008 
       Mackay model           :  2.88E-008 
       Octanol/air (Koa) model:  1.83E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  20.8882 E-12 cm3/molecule-sec
      Half-Life =     0.512 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.145 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 2.09E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  14.95
      Log Koc:  1.175 

 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 = 0.863 (BCF = 7.296)
       log Kow used: 2.03 (expkow database)

 Volatilization from Water:
    Henry LC:  0.0022 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.301  hours
    Half-Life from Model Lake :      98.95  hours   (4.123 days)

 Removal In Wastewater Treatment:
    Total removal:              47.87  percent
    Total biodegradation:        0.06  percent
    Total sludge adsorption:     1.39  percent
    Total to Air:               46.41  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       10.4            13.9         1000       
   Water     54              360          1000       
   Soil      35.4            720          1000       
   Sediment  0.197           3.24e+003    0          
     Persistence Time: 122 hr