MFCD01075484

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) =  2.81
    Log Kow (Exper. database match) =  3.00
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  200.67  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -14.46  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.099  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -15.5 deg C
    BP  (exp database):  195.1 deg C
    VP  (exp database):  7.94E-02 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  814
       log Kow used: 3.00 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  540 mg/L (25 deg C)
        Exper. Ref:  BARTON,AFM (1984)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  766.96 mg/L
    Wat Sol (Exper. database match) =  540.00
       Exper. Ref:  BARTON,AFM (1984)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.10E-005  atm-m3/mole
   Group Method:   3.88E-005  atm-m3/mole
   Exper Database: 2.45E-05  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  2.084E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.00  (exp database)
  Log Kaw used:  -2.999  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  5.999
      Log Koa (experimental database):  6.030

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9527
   Biowin2 (Non-Linear Model)     :   0.9840
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.3697  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.0584  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8322
   Biowin6 (MITI Non-Linear Model):   0.9425
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7535
 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):  10.6 Pa (0.0794 mm Hg)
  Log Koa (Exp database): 6.030
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.83E-007 
       Octanol/air (Koa) model:  2.63E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.02E-005 
       Mackay model           :  2.27E-005 
       Octanol/air (Koa) model:  2.1E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  12.5422 E-12 cm3/molecule-sec
      Half-Life =     0.853 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    10.234 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.65E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  28.27
      Log Koc:  1.451 

 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 = 1.610 (BCF = 40.74)
       log Kow used: 3.00 (expkow database)

 Volatilization from Water:
    Henry LC:  2.45E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      28.44  hours   (1.185 days)
    Half-Life from Model Lake :      405.9  hours   (16.91 days)

 Removal In Wastewater Treatment:
    Total removal:               6.92  percent
    Total biodegradation:        0.12  percent
    Total sludge adsorption:     5.52  percent
    Total to Air:                1.28  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.56            17.8         1000       
   Water     26.8            208          1000       
   Soil      70.3            416          1000       
   Sediment  0.339           1.87e+003    0          
     Persistence Time: 279 hr