CAS Number: 91052-71-0
SMILES : OCC(O)COC(=O)CC(=O)CCCCCCCCCCCCC
CHEM   : 2,3-dihydroxypropyl 3-oxohexadecanoate
MOL FOR: C19 H36 O5 
MOL WT : 344.50
------------------------------ EPI SUMMARY (v4.00) --------------------------
 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 v1.67 estimate) =  3.58
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  447.82  (Adapted Stein & Brown method)
    Melting Pt (deg C):  168.27  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.72E-011  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.16E-008  (Modified Grain method)
    Subcooled liquid VP: 2.62E-009 mm Hg (25 deg C, Mod-Grain method)
                       : 3.5E-007 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  5.811
       log Kow used: 3.58 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  52.026 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.33E-012  atm-m3/mole  (8.44E-007 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:  6.802E-012 atm-m3/mole  (6.892E-007 Pa-m3/mole)
      VP:   8.72E-011 mm Hg (source: MPBPVP)
      WS:   5.81 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.58  (KowWin est)
  Log Kaw used:  -9.468  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  13.048
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.1904
   Biowin2 (Non-Linear Model)     :   0.9970
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1739  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0854  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.1620
   Biowin6 (MITI Non-Linear Model):   0.9857
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7083
 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):  3.49E-007 Pa (2.62E-009 mm Hg)
  Log Koa (Koawin est  ): 13.048
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.59 
       Octanol/air (Koa) model:  2.74 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.997 
       Mackay model           :  0.999 
       Octanol/air (Koa) model:  0.995 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  36.0043 E-12 cm3/molecule-sec
      Half-Life =     0.297 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.565 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.998 (Junge-Pankow, Mackay avg)
      0.995 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  38.27  L/kg (MCI method)
      Log Koc:  1.583       (MCI method)
      Koc    :  163.1  L/kg (Kow method)
      Log Koc:  2.212       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  5.388E-001  L/mol-sec
  Kb Half-Life at pH 8:      14.890  days   
  Kb Half-Life at pH 7:     148.896  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.032 (BCF = 107.6 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.9318 days (HL = 0.0117 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.819 (BCF = 6.59)
   Log BAF Arnot-Gobas method (upper trophic) = 0.819 (BAF = 6.59)
       log Kow used: 3.58 (estimated)
 
 Volatilization from Water:
    Henry LC:  8.33E-012 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.305E+008  hours   (5.436E+006 days)
    Half-Life from Model Lake : 1.423E+009  hours   (5.93E+007 days)
 
 Removal In Wastewater Treatment:
    Total removal:              14.98  percent
    Total biodegradation:        0.20  percent
    Total sludge adsorption:    14.78  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       0.0566          7.13         1000       
   Water     23.8            360          1000       
   Soil      76.1            720          1000       
   Sediment  0.0813          3.24e+003    0          
     Persistence Time: 672 hr