CAS Number: 107797-24-0
SMILES : CCCCC1CCC(=O)O1
CHEM   : 
MOL FOR: C8 H14 O2 
MOL WT : 142.20
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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) =  1.59
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  248.37  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -0.80  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0634  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  8.46  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  234 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  3632
       log Kow used: 1.59 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  716.71 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.19E-004  atm-m3/mole  (3.23E+001 Pa-m3/mole)
   Group Method:   1.20E-004  atm-m3/mole  (1.21E+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:  3.266E-006 atm-m3/mole  (3.309E-001 Pa-m3/mole)
      VP:   0.0634 mm Hg (source: MPBPVP)
      WS:   3.63E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.59  (KowWin est)
  Log Kaw used:  -1.885  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.475
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9625
   Biowin2 (Non-Linear Model)     :   0.9990
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.3235  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.1406  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8334
   Biowin6 (MITI Non-Linear Model):   0.9254
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4880
 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):  8.03 Pa (0.0602 mm Hg)
  Log Koa (Koawin est  ): 3.475
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.74E-007 
       Octanol/air (Koa) model:  7.33E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.35E-005 
       Mackay model           :  2.99E-005 
       Octanol/air (Koa) model:  5.86E-008 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   8.2799 E-12 cm3/molecule-sec
      Half-Life =     1.292 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    15.502 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      2.17E-005 (Junge-Pankow, Mackay avg)
      5.86E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  65.84  L/kg (MCI method)
      Log Koc:  1.818       (MCI method)
      Koc    :  54.83  L/kg (Kow method)
      Log Koc:  1.739       (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 = 0.713 (BCF = 5.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.6182 days (HL = 0.02409 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.412 (BCF = 2.581)
   Log BAF Arnot-Gobas method (upper trophic) = 0.412 (BAF = 2.581)
       log Kow used: 1.59 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.00012 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      7.035  hours
    Half-Life from Model Lake :      176.7  hours   (7.364 days)
 
 Removal In Wastewater Treatment:
    Total removal:               7.63  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.82  percent
    Total to Air:                5.72  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       5.48            31           1000       
   Water     28.6            208          1000       
   Soil      65.8            416          1000       
   Sediment  0.115           1.87e+003    0          
     Persistence Time: 243 hr