CAS Number: 15514-30-0
SMILES : CCC(C)C(=O)OCC(C)OC(=O)C(C)CC
CHEM   : 
MOL FOR: C13 H24 O4 
MOL WT : 244.33
------------------------------ EPI SUMMARY (v4.11) --------------------------
 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 v1.68 estimate) =  3.62
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  247.77  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -48.11  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0307  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  4.09  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  20.51
       log Kow used: 3.62 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  96.766 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    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:   2.62E-006  atm-m3/mole  (2.66E-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:  4.812E-004 atm-m3/mole  (4.876E+001 Pa-m3/mole)
      VP:   0.0307 mm Hg (source: MPBPVP)
      WS:   20.5 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.62  (KowWin est)
  Log Kaw used:  -3.783  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.403
      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)    :   0.6710
   Biowin6 (MITI Non-Linear Model):   0.8101
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3623
 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):  3.97 Pa (0.0298 mm Hg)
  Log Koa (Koawin est  ): 7.403
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.55E-007 
       Octanol/air (Koa) model:  6.21E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.73E-005 
       Mackay model           :  6.04E-005 
       Octanol/air (Koa) model:  0.000496 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  10.2695 E-12 cm3/molecule-sec
      Half-Life =     1.042 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    12.498 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      4.38E-005 (Junge-Pankow, Mackay avg)
      0.000496 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  135.9  L/kg (MCI method)
      Log Koc:  2.133       (MCI method)
      Koc    :  625.5  L/kg (Kow method)
      Log Koc:  2.796       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.884E-002  L/mol-sec
  Kb Half-Life at pH 8:       1.166  years  
  Kb Half-Life at pH 7:      11.658  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.057 (BCF = 114 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.8471 days (HL = 0.01422 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.830 (BCF = 6.754)
   Log BAF Arnot-Gobas method (upper trophic) = 0.830 (BAF = 6.754)
       log Kow used: 3.62 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.62E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      350.9  hours   (14.62 days)
    Half-Life from Model Lake :       3959  hours   (165 days)
 
 Removal In Wastewater Treatment:
    Total removal:              16.18  percent
    Total biodegradation:        0.21  percent
    Total sludge adsorption:    15.84  percent
    Total to Air:                0.13  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.91            25           1000       
   Water     26.8            360          1000       
   Soil      71.2            720          1000       
   Sediment  0.193           3.24e+003    0          
     Persistence Time: 457 hr