CAS Num: 000700-82-3
SMILES : C12=C(CCC(=O)O1)CCCC2
CHEM   : 
MOL FOR: C9 H12 O2 
MOL WT : 152.19
------------------------------ 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) =  2.41

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  280.02  (Adapted Stein & Brown method)
    Melting Pt (deg C):  36.66  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0044  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.586  (Modified Grain method)
    Subcooled liquid VP: 0.0056 mm Hg (25 deg C, Mod-Grain method)
                       : 0.747 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  652.5
       log Kow used: 2.41 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  247.38 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   Incomplete
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  1.350E-006 atm-m3/mole  (1.368E-001 Pa-m3/mole)
      VP:   0.0044 mm Hg (source: MPBPVP)
      WS:   653 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Can Not Estimate (can not calculate HenryLC)

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8493
   Biowin2 (Non-Linear Model)     :   0.9928
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0031  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8571  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7215
   Biowin6 (MITI Non-Linear Model):   0.8805
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2879
 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):  0.747 Pa (0.0056 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.02E-006 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000145 
       Mackay model           :  0.000321 
       Octanol/air (Koa) model:  not available

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   7.4214 E-12 cm3/molecule-sec
      Half-Life =     1.441 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    17.295 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000233 (Junge-Pankow, Mackay avg)
      not available (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  125.1  L/kg (MCI method)
      Log Koc:  2.097       (MCI method)
      Koc    :  155.8  L/kg (Kow method)
      Log Koc:  2.193       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.255 (BCF = 18 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.7228 days (HL = 0.1893 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.290 (BCF = 19.48)
   Log BAF Arnot-Gobas method (upper trophic) = 1.290 (BAF = 19.48)
       log Kow used: 2.41 (estimated)

 Volatilization from Water:
    Henry LC:  1.35E-006 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River:      536.1  hours   (22.34 days)
    Half-Life from Model Lake :       5952  hours   (248 days)

 Removal In Wastewater Treatment:
    Total removal:               2.94  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.76  percent
    Total to Air:                0.08  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.23            34.6         1000       
   Water     26.5            360          1000       
   Soil      71.1            720          1000       
   Sediment  0.18            3.24e+003    0          
     Persistence Time: 470 hr