QJ2100000

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) =  3.81
    Log Kow (Exper. database match) =  4.00
       Exper. Ref:  LEI,YD ET AL. (2000)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  260.14  (Adapted Stein & Brown method)
    Melting Pt (deg C):  34.55  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0168  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -2.5 deg C
    BP  (exp database):  259 deg C
    VP  (exp database):  2.90E-02 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  25.54
       log Kow used: 4.00 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  17.4 mg/L (25 deg C)
        Exper. Ref:  WASIK,SP ET AL. (1981)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  10.039 mg/L
    Wat Sol (Exper. database match) =  17.40
       Exper. Ref:  WASIK,SP ET AL. (1981)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.90E-004  atm-m3/mole
   Group Method:   3.15E-004  atm-m3/mole
   Exper Database: 3.55E-04  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.408E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.00  (exp database)
  Log Kaw used:  -1.838  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  5.838
      Log Koa (experimental database):  5.800

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4877
   Biowin2 (Non-Linear Model)     :   0.2115
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6332  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4478  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2920
   Biowin6 (MITI Non-Linear Model):   0.1755
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2342
 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):  3.87 Pa (0.029 mm Hg)
  Log Koa (Exp database): 5.800
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.76E-007 
       Octanol/air (Koa) model:  1.55E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.8E-005 
       Mackay model           :  6.21E-005 
       Octanol/air (Koa) model:  1.24E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  15.1948 E-12 cm3/molecule-sec
      Half-Life =     0.704 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     8.447 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 4.5E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  3038
      Log Koc:  3.483 

 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 = 2.380 (BCF = 239.9)
       log Kow used: 4.00 (expkow database)

 Volatilization from Water:
    Henry LC:  0.000355 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      3.404  hours
    Half-Life from Model Lake :      144.1  hours   (6.003 days)

 Removal In Wastewater Treatment:
    Total removal:              38.29  percent
    Total biodegradation:        0.29  percent
    Total sludge adsorption:    28.18  percent
    Total to Air:                9.82  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.01            16.9         1000       
   Water     10.7            900          1000       
   Soil      85.8            1.8e+003     1000       
   Sediment  2.53            8.1e+003     0          
     Persistence Time: 966 hr