CAS Number: 236391-76-7
SMILES : CCC(=O)OCC(=O)OC(C)C1CCCC(C1)(C)C
CHEM   : 
MOL FOR: C15 H26 O4 
MOL WT : 270.37
------------------------------ 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) =  4.45
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  294.03  (Adapted Stein & Brown method)
    Melting Pt (deg C):  5.19  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00268  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.357  (Modified Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  2.856
       log Kow used: 4.45 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  32.796 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.22E-005  atm-m3/mole  (2.24E+000 Pa-m3/mole)
   Group Method:   6.74E-006  atm-m3/mole  (6.83E-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:  3.338E-004 atm-m3/mole  (3.383E+001 Pa-m3/mole)
      VP:   0.00268 mm Hg (source: MPBPVP)
      WS:   2.86 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.45  (KowWin est)
  Log Kaw used:  -3.042  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.492
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7833
   Biowin2 (Non-Linear Model)     :   0.9963
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6700  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.7621  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8040
   Biowin6 (MITI Non-Linear Model):   0.8409
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0272
 Ready Biodegradability Prediction:   NO
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.357 Pa (0.00268 mm Hg)
  Log Koa (Koawin est  ): 7.492
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.4E-006 
       Octanol/air (Koa) model:  7.62E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000303 
       Mackay model           :  0.000671 
       Octanol/air (Koa) model:  0.000609 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  14.5021 E-12 cm3/molecule-sec
      Half-Life =     0.738 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     8.851 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000487 (Junge-Pankow, Mackay avg)
      0.000609 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  410  L/kg (MCI method)
      Log Koc:  2.613       (MCI method)
      Koc    :  1800  L/kg (Kow method)
      Log Koc:  3.255       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.621E+001  L/mol-sec
  Kb Half-Life at pH 8:      11.878  hours  
  Kb Half-Life at pH 7:       4.949  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.606 (BCF = 403.5 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.4457 days (HL = 0.03583 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.204 (BCF = 16)
   Log BAF Arnot-Gobas method (upper trophic) = 1.204 (BAF = 16)
       log Kow used: 4.45 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.22E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      45.04  hours   (1.877 days)
    Half-Life from Model Lake :      629.3  hours   (26.22 days)
 
 Removal In Wastewater Treatment:
    Total removal:              53.73  percent
    Total biodegradation:        0.50  percent
    Total sludge adsorption:    52.69  percent
    Total to Air:                0.54  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.782           17.7         1000       
   Water     18.3            900          1000       
   Soil      80.5            1.8e+003     1000       
   Sediment  0.417           8.1e+003     0          
     Persistence Time: 981 hr