CAS Number: 3319-31-1
SMILES : O=C(OCC(CCCC)CC)c(ccc(c1C(=O)OCC(CCCC)CC)C(=O)OCC(CCCC)CC)c1
CHEM   : 1,2,4-Benzenetricarboxylic acid, tris(2-ethylhexyl) ester
MOL FOR: C33 H54 O6 
MOL WT : 546.79
------------------------------ EPI SUMMARY (v4.10) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  11.59
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  540.56  (Adapted Stein & Brown method)
    Melting Pt (deg C):  196.96  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.86E-008  (Modified Grain method)
    VP (Pa, 25 deg C) :  7.82E-006  (Modified Grain method)
    BP  (exp database):  414 deg C
    Subcooled liquid VP: 3.79E-006 mm Hg (25 deg C, Mod-Grain method)
                       : 0.000505 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  4.511e-008
       log Kow used: 11.59 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  100 mg/L (25 deg C)
        Exper. Ref:  CHEMICALS INSPECTION AND TESTING INSTITU (1992)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  7.8136e-007 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.53E-007  atm-m3/mole  (5.60E-002 Pa-m3/mole)
   Group Method:   4.45E-007  atm-m3/mole  (4.51E-002 Pa-m3/mole)
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  9.346E-001 atm-m3/mole  (9.470E+004 Pa-m3/mole)
      VP:   5.86E-008 mm Hg (source: MPBPVP)
      WS:   4.51E-008 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  11.59  (KowWin est)
  Log Kaw used:  -4.646  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  16.236
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.3351
   Biowin2 (Non-Linear Model)     :   1.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.3065  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.5529  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7330
   Biowin6 (MITI Non-Linear Model):   0.6680
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4730
 Ready Biodegradability Prediction:   YES
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.000505 Pa (3.79E-006 mm Hg)
  Log Koa (Koawin est  ): 16.236
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00594 
       Octanol/air (Koa) model:  4.23E+003 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.177 
       Mackay model           :  0.322 
       Octanol/air (Koa) model:  1 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  32.7655 E-12 cm3/molecule-sec
      Half-Life =     0.326 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.917 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.249 (Junge-Pankow, Mackay avg)
      1 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  6.717E+007  L/kg (MCI method)
      Log Koc:  7.827       (MCI method)
      Koc    :  1.602E+007  L/kg (Kow method)
      Log Koc:  7.205       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  6.787E-001  L/mol-sec
  Kb Half-Life at pH 8:      11.820  days   
  Kb Half-Life at pH 7:     118.197  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.278 (BCF = 18.96 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.0752 days (HL = 1.189 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.046 (BCF = 0.8991)
   Log BAF Arnot-Gobas method (upper trophic) = -0.038 (BAF = 0.9172)
       log Kow used: 11.59 (estimated)
 
 Volatilization from Water:
    Henry LC:  4.45E-007 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       3079  hours   (128.3 days)
    Half-Life from Model Lake : 3.378E+004  hours   (1408 days)
 
 Removal In Wastewater Treatment:
    Total removal:              94.04  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.26  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.991           7.83         1000       
   Water     25.5            208          1000       
   Soil      71.9            416          1000       
   Sediment  1.6             1.87e+003    0          
     Persistence Time: 305 hr