CAS Number: 22597-23-5
SMILES : CC1CCC(CC1)OC(=O)C
CHEM   : 
MOL FOR: C9 H16 O2 
MOL WT : 156.23
------------------------------ 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) =  3.06
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  193.97  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -18.45  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.487  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  64.9  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  173.4
       log Kow used: 3.06 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  990.37 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.23E-004  atm-m3/mole  (4.29E+001 Pa-m3/mole)
   Group Method:   2.03E-004  atm-m3/mole  (2.06E+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:  5.773E-004 atm-m3/mole  (5.850E+001 Pa-m3/mole)
      VP:   0.487 mm Hg (source: MPBPVP)
      WS:   173 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.06  (KowWin est)
  Log Kaw used:  -1.762  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.822
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8474
   Biowin2 (Non-Linear Model)     :   0.9924
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9941  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8513  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6957
   Biowin6 (MITI Non-Linear Model):   0.7663
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4476
 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):  59.2 Pa (0.444 mm Hg)
  Log Koa (Koawin est  ): 4.822
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.07E-008 
       Octanol/air (Koa) model:  1.63E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.83E-006 
       Mackay model           :  4.05E-006 
       Octanol/air (Koa) model:  1.3E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  13.4927 E-12 cm3/molecule-sec
      Half-Life =     0.793 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     9.513 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      2.94E-006 (Junge-Pankow, Mackay avg)
      1.3E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  100.9  L/kg (MCI method)
      Log Koc:  2.004       (MCI method)
      Koc    :  356.5  L/kg (Kow method)
      Log Koc:  2.552       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  3.014E-002  L/mol-sec
  Kb Half-Life at pH 8:     266.184  days   
  Kb Half-Life at pH 7:       7.288  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.686 (BCF = 48.55 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.8572 days (HL = 0.1389 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.588 (BCF = 38.69)
   Log BAF Arnot-Gobas method (upper trophic) = 1.588 (BAF = 38.69)
       log Kow used: 3.06 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000203 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       4.88  hours
    Half-Life from Model Lake :        158  hours   (6.585 days)
 
 Removal In Wastewater Treatment:
    Total removal:              14.43  percent
    Total biodegradation:        0.12  percent
    Total sludge adsorption:     5.81  percent
    Total to Air:                8.50  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.2             19           1000       
   Water     25.8            360          1000       
   Soil      70.8            720          1000       
   Sediment  0.152           3.24e+003    0          
     Persistence Time: 342 hr