CAS Num: 000077-93-0
SMILES : O=C(OCC)C(O)(CC(=O)OCC)CC(=O)OCC
CHEM   : 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, triethyl ester
MOL FOR: C12 H20 O7 
MOL WT : 276.29
------------------------------ 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) =  0.33

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  324.77  (Adapted Stein & Brown method)
    Melting Pt (deg C):  22.72  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000198  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0264  (Modified Grain method)
    MP  (exp database):  < 25 deg C
    BP  (exp database):  294 deg C
    VP  (exp database):  6.87E-04 mm Hg (9.16E-002 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.824e+004
       log Kow used: 0.33 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  6.5e+004 mg/L ( deg C)
        Exper. Ref:  HAWLEY'S COND. CHEM. DICT. (1993)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  62059 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.39E-010  atm-m3/mole  (6.48E-005 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 3.84E-09  atm-m3/mole  (3.89E-004 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:  2.549E-009 atm-m3/mole  (2.583E-004 Pa-m3/mole)
      VP:   0.000198 mm Hg (source: MPBPVP)
      WS:   2.82E+004 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.33  (KowWin est)
  Log Kaw used:  -6.804  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  7.134
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9546
   Biowin2 (Non-Linear Model)     :   0.9999
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7971  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9826  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.2373
   Biowin6 (MITI Non-Linear Model):   0.9889
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.9086
 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):  0.0916 Pa (0.000687 mm Hg)
  Log Koa (Koawin est  ): 7.134
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.28E-005 
       Octanol/air (Koa) model:  3.34E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00118 
       Mackay model           :  0.00261 
       Octanol/air (Koa) model:  0.000267 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   7.3255 E-12 cm3/molecule-sec
      Half-Life =     1.460 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    17.521 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.0019 (Junge-Pankow, Mackay avg)
      0.000267 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  21.02  L/kg (MCI method)
      Log Koc:  1.323       (MCI method)
      Koc    :  3.673  L/kg (Kow method)
      Log Koc:  0.565       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.349E-002  L/mol-sec
  Kb Half-Life at pH 8:       1.628  years  
  Kb Half-Life at pH 7:      16.279  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -3.8667 days (HL = 0.0001359 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.030 (BCF = 0.9342)
   Log BAF Arnot-Gobas method (upper trophic) = -0.030 (BAF = 0.9342)
       log Kow used: 0.33 (estimated)

 Volatilization from Water:
    Henry LC:  3.84E-009 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River: 2.534E+005  hours   (1.056E+004 days)
    Half-Life from Model Lake : 2.765E+006  hours   (1.152E+005 days)

 Removal In Wastewater Treatment:
    Total removal:               1.86  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  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       0.0756          35           1000       
   Water     26.6            360          1000       
   Soil      73.3            720          1000       
   Sediment  0.0721          3.24e+003    0          
     Persistence Time: 664 hr