CAS Number: 84824-80-6
SMILES : CCCCC=C1CC(CC1(=O))CC(=O)OC
CHEM   : 
MOL FOR: C13 H20 O3 
MOL WT : 224.30
------------------------------ 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) =  3.18
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  315.21  (Adapted Stein & Brown method)
    Melting Pt (deg C):  82.66  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000244  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0325  (Modified Grain method)
    Subcooled liquid VP: 0.000867 mm Hg (25 deg C, Mod-Grain method)
                       : 0.116 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  63.04
       log Kow used: 3.18 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  37.682 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
       Vinyl/Allyl Ketones
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.78E-007  atm-m3/mole  (2.81E-002 Pa-m3/mole)
   Group Method:   3.70E-008  atm-m3/mole  (3.75E-003 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:  1.142E-006 atm-m3/mole  (1.157E-001 Pa-m3/mole)
      VP:   0.000244 mm Hg (source: MPBPVP)
      WS:   63 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.18  (KowWin est)
  Log Kaw used:  -4.944  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.124
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9302
   Biowin2 (Non-Linear Model)     :   0.9950
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1196  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9999  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7629
   Biowin6 (MITI Non-Linear Model):   0.8114
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0310
 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):  0.116 Pa (0.000867 mm Hg)
  Log Koa (Koawin est  ): 8.124
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.6E-005 
       Octanol/air (Koa) model:  3.27E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000936 
       Mackay model           :  0.00207 
       Octanol/air (Koa) model:  0.00261 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  91.2742 E-12 cm3/molecule-sec
      Half-Life =     0.117 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.406 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     7.393750 E-17 cm3/molecule-sec
      Half-Life =     0.155 Days (at 7E11 mol/cm3)
      Half-Life =      3.720 Hrs
   Fraction sorbed to airborne particulates (phi):
      0.0015 (Junge-Pankow, Mackay avg)
      0.00261 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  148.3  L/kg (MCI method)
      Log Koc:  2.171       (MCI method)
      Koc    :  651.7  L/kg (Kow method)
      Log Koc:  2.814       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.784E-002  L/mol-sec
  Kb Half-Life at pH 8:       1.231  years  
  Kb Half-Life at pH 7:      12.311  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.764 (BCF = 58.08 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.1510 days (HL = 0.07063 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.398 (BCF = 24.98)
   Log BAF Arnot-Gobas method (upper trophic) = 1.398 (BAF = 24.98)
       log Kow used: 3.18 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.7E-008 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:  2.37E+004  hours   (987.5 days)
    Half-Life from Model Lake : 2.587E+005  hours   (1.078E+004 days)
 
 Removal In Wastewater Treatment:
    Total removal:               7.55  percent
    Total biodegradation:        0.14  percent
    Total sludge adsorption:     7.41  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       0.135           1.6          1000       
   Water     25.4            360          1000       
   Soil      74.3            720          1000       
   Sediment  0.194           3.24e+003    0          
     Persistence Time: 487 hr