CAS Number: 3553-34-2
SMILES : CCCCC1C2CCCCC2C(=O)O1
CHEM   : 
MOL FOR: C12 H20 O2 
MOL WT : 196.29
------------------------------ 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) =  2.95
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  311.06  (Adapted Stein & Brown method)
    Melting Pt (deg C):  33.71  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000904  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.121  (Modified Grain method)
    Subcooled liquid VP: 0.00108 mm Hg (25 deg C, Mod-Grain method)
                       : 0.144 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  138.8
       log Kow used: 2.95 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  18.908 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.37E-004  atm-m3/mole  (4.42E+001 Pa-m3/mole)
   Group Method:   1.02E-004  atm-m3/mole  (1.03E+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:  1.682E-006 atm-m3/mole  (1.704E-001 Pa-m3/mole)
      VP:   0.000904 mm Hg (source: MPBPVP)
      WS:   139 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.95  (KowWin est)
  Log Kaw used:  -1.748  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.698
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9367
   Biowin2 (Non-Linear Model)     :   0.9979
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2039  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0626  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7368
   Biowin6 (MITI Non-Linear Model):   0.7633
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3269
 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):  0.144 Pa (0.00108 mm Hg)
  Log Koa (Koawin est  ): 4.698
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.08E-005 
       Octanol/air (Koa) model:  1.22E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000752 
       Mackay model           :  0.00166 
       Octanol/air (Koa) model:  9.8E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  15.6926 E-12 cm3/molecule-sec
      Half-Life =     0.682 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     8.179 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00121 (Junge-Pankow, Mackay avg)
      9.8E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  726.2  L/kg (MCI method)
      Log Koc:  2.861       (MCI method)
      Koc    :  309.9  L/kg (Kow method)
      Log Koc:  2.491       (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 v3.01):
   Log BCF from regression-based method = 1.612 (BCF = 40.93 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.4727 days (HL = 0.3368 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.745 (BCF = 55.55)
   Log BAF Arnot-Gobas method (upper trophic) = 1.745 (BAF = 55.55)
       log Kow used: 2.95 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000102 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      9.472  hours
    Half-Life from Model Lake :      220.8  hours   (9.2 days)
 
 Removal In Wastewater Treatment:
    Total removal:               9.92  percent
    Total biodegradation:        0.12  percent
    Total sludge adsorption:     5.02  percent
    Total to Air:                4.79  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.78            16.4         1000       
   Water     21.3            360          1000       
   Soil      76.3            720          1000       
   Sediment  0.573           3.24e+003    0          
     Persistence Time: 436 hr