MFCD00026525

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) =  4.58

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  105.71  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -73.25  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  15.9  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -105.7 deg C
    BP  (exp database):  124 deg C
    VP  (exp database):  1.66E+01 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3.349
       log Kow used: 4.58 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1.15 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.1742 mg/L
    Wat Sol (Exper. database match) =  1.15
       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 :   4.00E+000  atm-m3/mole
   Group Method:   6.89E+000  atm-m3/mole
   Exper Database: 2.44E+00  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  8.012E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.58  (KowWin est)
  Log Kaw used:  1.999  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  2.581
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5026
   Biowin2 (Non-Linear Model)     :   0.3692
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7036  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5092  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4484
   Biowin6 (MITI Non-Linear Model):   0.5196
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0099
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.1037
     BioHC Half-Life (days)     :  12.6957

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  2.21E+003 Pa (16.6 mm Hg)
  Log Koa (Koawin est  ): 2.581
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.36E-009 
       Octanol/air (Koa) model:  9.35E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.9E-008 
       Mackay model           :  1.08E-007 
       Octanol/air (Koa) model:  7.48E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   6.0487 E-12 cm3/molecule-sec
      Half-Life =     1.768 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    21.220 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 7.87E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  508.2
      Log Koc:  2.706 

 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 = 2.824 (BCF = 666.9)
       log Kow used: 4.58 (estimated)

 Volatilization from Water:
    Henry LC:  2.44 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.156  hours
    Half-Life from Model Lake :      107.6  hours   (4.482 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.92  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:    36.11  percent
    Total to Air:               63.70  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       16.8            42.4         1000       
   Water     40.2            900          1000       
   Soil      6.77            1.8e+003     1000       
   Sediment  36.2            8.1e+003     0          
     Persistence Time: 192 hr