CAS Num: 056922-81-7
SMILES : CCCCC(=O)OCCC=CCC
CHEM   : 
MOL FOR: C11 H20 O2 
MOL WT : 184.28
------------------------------ 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) =  4.09

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  235.33  (Adapted Stein & Brown method)
    Melting Pt (deg C):  0.78  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0592  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  7.89  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  16.97
       log Kow used: 4.09 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  31.375 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.49E-003  atm-m3/mole  (1.51E+002 Pa-m3/mole)
   Group Method:   4.66E-004  atm-m3/mole  (4.72E+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:  8.459E-004 atm-m3/mole  (8.571E+001 Pa-m3/mole)
      VP:   0.0592 mm Hg (source: MPBPVP)
      WS:   17 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.09  (KowWin est)
  Log Kaw used:  -1.215  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.305
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0509
   Biowin2 (Non-Linear Model)     :   0.9997
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.5288  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.3490  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8173
   Biowin6 (MITI Non-Linear Model):   0.9109
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2222
 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):  7.51 Pa (0.0563 mm Hg)
  Log Koa (Koawin est  ): 5.305
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4E-007 
       Octanol/air (Koa) model:  4.95E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.44E-005 
       Mackay model           :  3.2E-005 
       Octanol/air (Koa) model:  3.96E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  63.5735 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  71.1735 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    2.019 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.803 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    13.000000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    20.000000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     2.116 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     1.375 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      2.32E-005 (Junge-Pankow, Mackay avg)
      3.96E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  390.2  L/kg (MCI method)
      Log Koc:  2.591       (MCI method)
      Koc    :  1324  L/kg (Kow method)
      Log Koc:  3.122       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  4.881E-002  L/mol-sec
  Kb Half-Life at pH 8:     164.355  days   
  Kb Half-Life at pH 7:       4.500  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.364 (BCF = 231 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.6128 days (HL = 0.2439 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.984 (BCF = 96.3)
   Log BAF Arnot-Gobas method (upper trophic) = 1.984 (BAF = 96.31)
       log Kow used: 4.09 (estimated)

 Volatilization from Water:
    Henry LC:  0.000466 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      3.091  hours
    Half-Life from Model Lake :      147.5  hours   (6.148 days)

 Removal In Wastewater Treatment:
    Total removal:              43.58  percent
    Total biodegradation:        0.31  percent
    Total sludge adsorption:    31.89  percent
    Total to Air:               11.38  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.387           1.39         1000       
   Water     24.2            208          1000       
   Soil      75.2            416          1000       
   Sediment  0.295           1.87e+003    0          
     Persistence Time: 234 hr