CAS Num: 068683-25-0
SMILES : CC(CCCC(CC)OC(=O)C)COC(=O)C
CHEM   : Octanol, acetate, mono[(acetyloxy)methyl] deriv.
MOL FOR: C13 H24 O4 
MOL WT : 244.33
------------------------------ 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) =  3.70

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  258.22  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -37.56  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0175  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  2.34  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  17.75
       log Kow used: 3.70 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  57.74 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.03E-006  atm-m3/mole  (4.08E-001 Pa-m3/mole)
   Group Method:   1.31E-006  atm-m3/mole  (1.33E-001 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:  3.170E-004 atm-m3/mole  (3.212E+001 Pa-m3/mole)
      VP:   0.0175 mm Hg (source: MPBPVP)
      WS:   17.8 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.70  (KowWin est)
  Log Kaw used:  -3.783  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.483
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9796
   Biowin2 (Non-Linear Model)     :   0.9995
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9396  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9531  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8201
   Biowin6 (MITI Non-Linear Model):   0.9161
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6597
 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):  2.32 Pa (0.0174 mm Hg)
  Log Koa (Koawin est  ): 7.483
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.29E-006 
       Octanol/air (Koa) model:  7.46E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.67E-005 
       Mackay model           :  0.000103 
       Octanol/air (Koa) model:  0.000597 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  15.2760 E-12 cm3/molecule-sec
      Half-Life =     0.700 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     8.402 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      7.51E-005 (Junge-Pankow, Mackay avg)
      0.000597 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  141.6  L/kg (MCI method)
      Log Koc:  2.151       (MCI method)
      Koc    :  692.6  L/kg (Kow method)
      Log Koc:  2.840       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  9.656E-002  L/mol-sec
  Kb Half-Life at pH 8:      83.076  days   
  Kb Half-Life at pH 7:       2.274  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.105 (BCF = 127.4 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.8300 days (HL = 0.01479 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.846 (BCF = 7.019)
   Log BAF Arnot-Gobas method (upper trophic) = 0.846 (BAF = 7.019)
       log Kow used: 3.70 (estimated)

 Volatilization from Water:
    Henry LC:  1.31E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      700.2  hours   (29.17 days)
    Half-Life from Model Lake :       7770  hours   (323.7 days)

 Removal In Wastewater Treatment:
    Total removal:              18.49  percent
    Total biodegradation:        0.23  percent
    Total sludge adsorption:    18.21  percent
    Total to Air:                0.06  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.37            16.8         1000       
   Water     26.6            360          1000       
   Soil      71.8            720          1000       
   Sediment  0.197           3.24e+003    0          
     Persistence Time: 460 hr