CAS Number: 2459-10-1
SMILES : O=C(OC)c(ccc(c1C(=O)OC)C(=O)OC)c1
CHEM   : 1,2,4-Benzenetricarboxylic acid, trimethyl ester
MOL FOR: C12 H12 O6 
MOL WT : 252.23
------------------------------ EPI SUMMARY (v4.11) --------------------------
 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) =  1.50
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  315.34  (Adapted Stein & Brown method)
    Melting Pt (deg C):  11.99  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000861  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.115  (Modified Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1207
       log Kow used: 1.50 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  14504 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.44E-009  atm-m3/mole  (1.46E-004 Pa-m3/mole)
   Group Method:   2.08E-010  atm-m3/mole  (2.11E-005 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:  2.367E-007 atm-m3/mole  (2.399E-002 Pa-m3/mole)
      VP:   0.000861 mm Hg (source: MPBPVP)
      WS:   1.21E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.50  (KowWin est)
  Log Kaw used:  -7.230  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.730
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.1500
   Biowin2 (Non-Linear Model)     :   1.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0624  (weeks       )
   Biowin4 (Primary Survey Model) :   4.1707  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.0189
   Biowin6 (MITI Non-Linear Model):   0.9526
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8266
 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):  0.115 Pa (0.000861 mm Hg)
  Log Koa (Koawin est  ): 8.730
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.61E-005 
       Octanol/air (Koa) model:  0.000132 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000943 
       Mackay model           :  0.00209 
       Octanol/air (Koa) model:  0.0104 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.6973 E-12 cm3/molecule-sec
      Half-Life =    15.339 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00151 (Junge-Pankow, Mackay avg)
      0.0104 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  288.5  L/kg (MCI method)
      Log Koc:  2.460       (MCI method)
      Koc    :  42.03  L/kg (Kow method)
      Log Koc:  1.624       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.318E+000  L/mol-sec
  Kb Half-Life at pH 8:       6.086  days   
  Kb Half-Life at pH 7:      60.857  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 0.656 (BCF = 4.527 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -2.8981 days (HL = 0.001264 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.170 (BCF = 1.48)
   Log BAF Arnot-Gobas method (upper trophic) = 0.170 (BAF = 1.48)
       log Kow used: 1.50 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.08E-010 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:  4.47E+006  hours   (1.863E+005 days)
    Half-Life from Model Lake : 4.877E+007  hours   (2.032E+006 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.97  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.88  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       0.00369         368          1000       
   Water     17.3            360          1000       
   Soil      82.5            720          1000       
   Sediment  0.218           3.24e+003    0          
     Persistence Time: 769 hr