CAS Num: 000077-90-7
SMILES : O=C(OC(C(=O)OCCCC)(CC(=O)OCCCC)CC(=O)OCCCC)C
CHEM   : 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, tributyl ester
MOL FOR: C20 H34 O8 
MOL WT : 402.49
------------------------------ 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) =  4.29

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  410.75  (Adapted Stein & Brown method)
    Melting Pt (deg C):  94.35  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.55E-006  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.000607  (Modified Grain method)
    MP  (exp database):  -80 deg C
    BP  (exp database):  172 @ 1 mm Hg deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.6464
       log Kow used: 4.29 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  5 mg/L ( deg C)
        Exper. Ref:  CHEMICALS INSPECTION AND TESTING INSTITU (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.4396 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.78E-010  atm-m3/mole  (3.83E-005 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  3.728E-006 atm-m3/mole  (3.777E-001 Pa-m3/mole)
      VP:   4.55E-006 mm Hg (source: MPBPVP)
      WS:   0.646 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.29  (KowWin est)
  Log Kaw used:  -7.811  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  12.101
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.3940
   Biowin2 (Non-Linear Model)     :   1.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.5535  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.8367  (hours       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.5025
   Biowin6 (MITI Non-Linear Model):   0.9972
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2037
 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):  0.000607 Pa (4.55E-006 mm Hg)
  Log Koa (Koawin est  ): 12.101
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00495 
       Octanol/air (Koa) model:  0.31 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.152 
       Mackay model           :  0.283 
       Octanol/air (Koa) model:  0.961 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  14.4562 E-12 cm3/molecule-sec
      Half-Life =     0.740 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     8.879 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.218 (Junge-Pankow, Mackay avg)
      0.961 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  8.765E+004  L/kg (MCI method)
      Log Koc:  4.943       (MCI method)
      Koc    :  1468  L/kg (Kow method)
      Log Koc:  3.167       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  5.755E-002  L/mol-sec
  Kb Half-Life at pH 8:     139.394  days   
  Kb Half-Life at pH 7:       3.816  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.121 (BCF = 13.2 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -3.2436 days (HL = 0.0005706 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: 4.29 (estimated)

 Volatilization from Water:
    Henry LC:  3.78E-010 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 3.107E+006  hours   (1.295E+005 days)
    Half-Life from Model Lake :  3.39E+007  hours   (1.412E+006 days)

 Removal In Wastewater Treatment:
    Total removal:              44.73  percent
    Total biodegradation:        0.44  percent
    Total sludge adsorption:    44.29  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       0.00949         17.8         1000       
   Water     13.4            208          1000       
   Soil      67.6            416          1000       
   Sediment  19              1.87e+003    0          
     Persistence Time: 561 hr