MFCD00153985

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) =  2.91

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  176.00  (Adapted Stein & Brown method)
    Melting Pt (deg C):  19.60  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.17  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  79.1
       log Kow used: 2.91 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  5.8462 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.45E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.841E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.91  (KowWin est)
  Log Kaw used:  -0.999  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.909
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.5910
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   0.9740  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.4249  (weeks-months)
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1815
   Biowin6 (MITI Non-Linear Model):   0.0007
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2546
 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):  141 Pa (1.06 mm Hg)
  Log Koa (Koawin est  ): 3.909
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.12E-008 
       Octanol/air (Koa) model:  1.99E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  7.67E-007 
       Mackay model           :  1.7E-006 
       Octanol/air (Koa) model:  1.59E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0000 E-12 cm3/molecule-sec
      Half-Life =   -------
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.23E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  414.5
      Log Koc:  2.617 

 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 = 1.538 (BCF = 34.55)
       log Kow used: 2.91 (estimated)

 Volatilization from Water:
    Henry LC:  0.00245 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.986  hours
    Half-Life from Model Lake :      153.9  hours   (6.413 days)

 Removal In Wastewater Treatment:
    Total removal:              51.32  percent
    Total biodegradation:        0.07  percent
    Total sludge adsorption:     3.51  percent
    Total to Air:               47.74  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       19.5            1e+005       1000       
   Water     22.7            4.32e+003    1000       
   Soil      57.4            8.64e+003    1000       
   Sediment  0.509           3.89e+004    0          
     Persistence Time: 443 hr