CAS Number: 
SMILES : CC12CCC3C(CCCC3(C1CC(=O)O2)C)(C)C
CHEM   : 
MOL FOR: C16 H26 O2 
MOL WT : 250.38
------------------------------ 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) =  3.86
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  341.90  (Adapted Stein & Brown method)
    Melting Pt (deg C):  107.07  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.22E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00429  (Modified Grain method)
    Subcooled liquid VP: 0.000205 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0274 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  11.99
       log Kow used: 3.86 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.4601 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.98E-004  atm-m3/mole  (6.06E+001 Pa-m3/mole)
   Group Method:   3.38E-005  atm-m3/mole  (3.42E+000 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:  8.848E-007 atm-m3/mole  (8.965E-002 Pa-m3/mole)
      VP:   3.22E-005 mm Hg (source: MPBPVP)
      WS:   12 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.86  (KowWin est)
  Log Kaw used:  -1.612  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.472
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2507
   Biowin2 (Non-Linear Model)     :   0.1629
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.1497  (months      )
   Biowin4 (Primary Survey Model) :   3.2551  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6587
   Biowin6 (MITI Non-Linear Model):   0.5445
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.9542
 Ready Biodegradability Prediction:   NO
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.0273 Pa (0.000205 mm Hg)
  Log Koa (Koawin est  ): 5.472
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00011 
       Octanol/air (Koa) model:  7.28E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00395 
       Mackay model           :  0.0087 
       Octanol/air (Koa) model:  5.82E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  13.8828 E-12 cm3/molecule-sec
      Half-Life =     0.770 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     9.245 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00633 (Junge-Pankow, Mackay avg)
      5.82E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  4157  L/kg (MCI method)
      Log Koc:  3.619       (MCI method)
      Koc    :  987.6  L/kg (Kow method)
      Log Koc:  2.995       (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 = 2.211 (BCF = 162.6 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.4191 days (HL = 0.381 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.124 (BCF = 133.1)
   Log BAF Arnot-Gobas method (upper trophic) = 2.124 (BAF = 133.1)
       log Kow used: 3.86 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.38E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      29.02  hours   (1.209 days)
    Half-Life from Model Lake :      449.3  hours   (18.72 days)
 
 Removal In Wastewater Treatment:
    Total removal:              25.30  percent
    Total biodegradation:        0.27  percent
    Total sludge adsorption:    23.66  percent
    Total to Air:                1.38  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.503           18.5         1000       
   Water     11.6            1.44e+003    1000       
   Soil      84.3            2.88e+003    1000       
   Sediment  3.54            1.3e+004     0          
     Persistence Time: 1.62e+003 hr