CAS Num: 000139-45-7
SMILES : O=C(OCC(OC(=O)CC)COC(=O)CC)CC
CHEM   : 1,2,3-Propanetriol, tripropanoate
MOL FOR: C12 H20 O6 
MOL WT : 260.29
------------------------------ 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) =  1.84

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  288.37  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -5.73  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00361  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.481  (Modified Grain method)
    BP  (exp database):  175-176 @ 20 mm Hg deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  560.2
       log Kow used: 1.84 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  3070 mg/L (37 deg C)
        Exper. Ref:  FUNASAKI,N ET AL. (1976)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1638.7 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.10E-009  atm-m3/mole  (4.15E-004 Pa-m3/mole)
   Group Method:   1.44E-010  atm-m3/mole  (1.46E-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:  2.207E-006 atm-m3/mole  (2.236E-001 Pa-m3/mole)
      VP:   0.00361 mm Hg (source: MPBPVP)
      WS:   560 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.84  (KowWin est)
  Log Kaw used:  -6.776  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.616
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.1462
   Biowin2 (Non-Linear Model)     :   1.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0446  (weeks       )
   Biowin4 (Primary Survey Model) :   4.1591  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.1666
   Biowin6 (MITI Non-Linear Model):   0.9885
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.0770
 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):  0.481 Pa (0.00361 mm Hg)
  Log Koa (Koawin est  ): 8.616
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.23E-006 
       Octanol/air (Koa) model:  0.000101 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000225 
       Mackay model           :  0.000498 
       Octanol/air (Koa) model:  0.00805 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   9.7427 E-12 cm3/molecule-sec
      Half-Life =     1.098 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    13.174 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000362 (Junge-Pankow, Mackay avg)
      0.00805 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  282.7  L/kg (MCI method)
      Log Koc:  2.451       (MCI method)
      Koc    :  64.81  L/kg (Kow method)
      Log Koc:  1.812       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  5.210E-001  L/mol-sec
  Kb Half-Life at pH 8:      15.397  days   
  Kb Half-Life at pH 7:     153.967  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 0.879 (BCF = 7.561 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -3.2567 days (HL = 0.0005537 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.285 (BCF = 1.93)
   Log BAF Arnot-Gobas method (upper trophic) = 0.285 (BAF = 1.93)
       log Kow used: 1.84 (estimated)

 Volatilization from Water:
    Henry LC:  1.44E-010 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:  6.56E+006  hours   (2.733E+005 days)
    Half-Life from Model Lake : 7.156E+007  hours   (2.982E+006 days)

 Removal In Wastewater Treatment:
    Total removal:               2.12  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     2.03  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       0.00255         26.4         1000       
   Water     17.3            360          1000       
   Soil      82.5            720          1000       
   Sediment  0.215           3.24e+003    0          
     Persistence Time: 769 hr