CAS Number: 20314-74-3
SMILES : CCCCCOC(=O)C=CC(=O)OCCCCC
CHEM   : 
MOL FOR: C14 H24 O4 
MOL WT : 256.35
------------------------------ 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) =  5.14
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  298.26  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -7.77  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00214  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.285  (Modified Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.8857
       log Kow used: 5.14 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  13.856 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.34E-006  atm-m3/mole  (1.35E-001 Pa-m3/mole)
   Group Method:   1.94E-007  atm-m3/mole  (1.97E-002 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:  8.150E-004 atm-m3/mole  (8.258E+001 Pa-m3/mole)
      VP:   0.00214 mm Hg (source: MPBPVP)
      WS:   0.886 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.14  (KowWin est)
  Log Kaw used:  -4.261  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.401
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.1907
   Biowin2 (Non-Linear Model)     :   1.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.5098  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.4740  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.0455
   Biowin6 (MITI Non-Linear Model):   0.9721
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4461
 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):  0.285 Pa (0.00214 mm Hg)
  Log Koa (Koawin est  ): 9.401
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.05E-005 
       Octanol/air (Koa) model:  0.000618 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00038 
       Mackay model           :  0.00084 
       Octanol/air (Koa) model:  0.0471 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  18.8696 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  19.8006 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    6.802 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    6.482 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.087500 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     0.175000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =    13.097 Days (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     6.549 Days (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi):
      0.00061 (Junge-Pankow, Mackay avg)
      0.0471 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  348.5  L/kg (MCI method)
      Log Koc:  2.542       (MCI method)
      Koc    :  4335  L/kg (Kow method)
      Log Koc:  3.637       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  6.569E-001  L/mol-sec
  Kb Half-Life at pH 8:      12.211  days   
  Kb Half-Life at pH 7:     122.110  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.685 (BCF = 48.47 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.1854 days (HL = 0.06525 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.446 (BCF = 27.92)
   Log BAF Arnot-Gobas method (upper trophic) = 1.446 (BAF = 27.92)
       log Kow used: 5.14 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.94E-007 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       4834  hours   (201.4 days)
    Half-Life from Model Lake : 5.287E+004  hours   (2203 days)
 
 Removal In Wastewater Treatment:
    Total removal:              81.68  percent
    Total biodegradation:        0.70  percent
    Total sludge adsorption:    80.97  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       1.39            13           1000       
   Water     25.6            208          1000       
   Soil      72.7            416          1000       
   Sediment  0.287           1.87e+003    0          
     Persistence Time: 313 hr