CAS Num: 000614-33-5
SMILES : O=C(OCC(OC(=O)c(cccc1)c1)COC(=O)c(cccc2)c2)c(cccc3)c3
CHEM   : 1,2,3-Propanetriol, tribenzoate
MOL FOR: C24 H20 O6 
MOL WT : 404.42
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  4.73

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  479.18  (Adapted Stein & Brown method)
    Melting Pt (deg C):  157.23  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.02E-008  (Modified Grain method)
    VP (Pa, 25 deg C) :  4.02E-006  (Modified Grain method)
    MP  (exp database):  76 deg C
    Subcooled liquid VP: 9.18E-008 mm Hg (25 deg C, Mod-Grain method)
                       : 1.22E-005 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.2634
       log Kow used: 4.73 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.49821 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.36E-011  atm-m3/mole  (1.38E-006 Pa-m3/mole)
   Group Method:   1.90E-013  atm-m3/mole  (1.92E-008 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:  6.101E-008 atm-m3/mole  (6.182E-003 Pa-m3/mole)
      VP:   3.02E-008 mm Hg (source: MPBPVP)
      WS:   0.263 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.73  (KowWin est)
  Log Kaw used:  -9.255  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  13.985
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.4618
   Biowin2 (Non-Linear Model)     :   1.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7921  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9658  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7116
   Biowin6 (MITI Non-Linear Model):   0.6792
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4609
 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):  1.22E-005 Pa (9.18E-008 mm Hg)
  Log Koa (Koawin est  ): 13.985
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.245 
       Octanol/air (Koa) model:  23.7 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.899 
       Mackay model           :  0.951 
       Octanol/air (Koa) model:  0.999 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  11.4104 E-12 cm3/molecule-sec
      Half-Life =     0.937 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    11.249 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.925 (Junge-Pankow, Mackay avg)
      0.999 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  4.296E+005  L/kg (MCI method)
      Log Koc:  5.633       (MCI method)
      Koc    :  2572  L/kg (Kow method)
      Log Koc:  3.410       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.929E-001  L/mol-sec
  Kb Half-Life at pH 8:      41.594  days   
  Kb Half-Life at pH 7:       1.139  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.787 (BCF = 612 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -2.6425 days (HL = 0.002278 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.100 (BCF = 12.58)
   Log BAF Arnot-Gobas method (upper trophic) = 1.100 (BAF = 12.58)
       log Kow used: 4.73 (estimated)

 Volatilization from Water:
    Henry LC:  1.9E-013 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 6.197E+009  hours   (2.582E+008 days)
    Half-Life from Model Lake :  6.76E+010  hours   (2.817E+009 days)

 Removal In Wastewater Treatment:
    Total removal:              67.35  percent
    Total biodegradation:        0.61  percent
    Total sludge adsorption:    66.74  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       4.8e-006        22.5         1000       
   Water     5.82            360          1000       
   Soil      49.3            720          1000       
   Sediment  44.8            3.24e+003    0          
     Persistence Time: 1.33e+003 hr