1,3,5-TRIETHYLBENZENE

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) =  5.11

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  229.59  (Adapted Stein & Brown method)
    Melting Pt (deg C):  11.85  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.162  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -66.5 deg C
    BP  (exp database):  215.9 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.901
       log Kow used: 5.11 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  0.014 mg/L (20 deg C)
        Exper. Ref:  MACINTYRE,WG & DEFUR,PO (1985)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.8078 mg/L
    Wat Sol (Exper. database match) =  0.01
       Exper. Ref:  MACINTYRE,WG & DEFUR,PO (1985)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.69E-002  atm-m3/mole
   Group Method:   2.45E-002  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.192E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.11  (KowWin est)
  Log Kaw used:  -0.161  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.271
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8343
   Biowin2 (Non-Linear Model)     :   0.9195
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6160  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4080  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0882
   Biowin6 (MITI Non-Linear Model):   0.1077
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0543
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.7734
     BioHC Half-Life (days)     :   5.9351

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  20 Pa (0.15 mm Hg)
  Log Koa (Koawin est  ): 5.271
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.5E-007 
       Octanol/air (Koa) model:  4.58E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.42E-006 
       Mackay model           :  1.2E-005 
       Octanol/air (Koa) model:  3.67E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  33.2196 E-12 cm3/molecule-sec
      Half-Life =     0.322 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.864 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 8.71E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  5071
      Log Koc:  3.705 

 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 = 3.233 (BCF = 1711)
       log Kow used: 5.11 (estimated)

 Volatilization from Water:
    Henry LC:  0.0245 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       1.33  hours
    Half-Life from Model Lake :      121.3  hours   (5.055 days)

 Removal In Wastewater Treatment:
    Total removal:              94.63  percent
    Total biodegradation:        0.30  percent
    Total sludge adsorption:    58.54  percent
    Total to Air:               35.78  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.554           7.73         1000       
   Water     7.49            900          1000       
   Soil      70.3            1.8e+003     1000       
   Sediment  21.7            8.1e+003     0          
     Persistence Time: 1.02e+003 hr