TC8400000

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) =  4.70
    Log Kow (Exper. database match) =  4.59
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  441.27  (Adapted Stein & Brown method)
    Melting Pt (deg C):  86.50  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.72E-007  (Modified Grain method)
    MP  (exp database):  50.5 deg C
    BP  (exp database):  245 @ 11 mm Hg deg C
    VP  (exp database):  6.28E-06 mm Hg at 25 deg C
    Subcooled liquid VP: 1.12E-005 mm Hg (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.034
       log Kow used: 4.59 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1.9 mg/L (25 deg C)
        Exper. Ref:  SAEGER,VW ET AL. (1979)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  4.6735 mg/L
    Wat Sol (Exper. database match) =  1.90
       Exper. Ref:  SAEGER,VW ET AL. (1979)

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Esters
       Esters (phosphate)

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.98E-008  atm-m3/mole
   Group Method:   Incomplete
   Exper Database: 3.31E-06  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.960E-007 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.59  (exp database)
  Log Kaw used:  -3.869  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  8.459
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.2904
   Biowin2 (Non-Linear Model)     :   1.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6979  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.8570  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0194
   Biowin6 (MITI Non-Linear Model):   0.0187
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5862
 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):  0.00149 Pa (1.12E-005 mm Hg)
  Log Koa (Koawin est  ): 8.459
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00201 
       Octanol/air (Koa) model:  7.06E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0677 
       Mackay model           :  0.138 
       Octanol/air (Koa) model:  0.00562 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  10.8423 E-12 cm3/molecule-sec
      Half-Life =     0.987 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    11.838 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.103 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  5237
      Log Koc:  3.719 

 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 = 2.054 (BCF = 113.3)
       log Kow used: 4.59 (expkow database)

 Volatilization from Water:
    Henry LC:  3.31E-006 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      321.4  hours   (13.39 days)
    Half-Life from Model Lake :       3657  hours   (152.4 days)

 Removal In Wastewater Treatment:
    Total removal:              60.71  percent
    Total biodegradation:        0.56  percent
    Total sludge adsorption:    60.09  percent
    Total to Air:                0.07  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.495           23.7         1000       
   Water     13.1            900          1000       
   Soil      74.3            1.8e+003     1000       
   Sediment  12.1            8.1e+003     0          
     Persistence Time: 1.38e+003 hr