CAS Number: 
SMILES : CC1CCC2=C(CC3C(CC12)C(C(=O)O3)C)C
CHEM   : 
MOL FOR: C15 H22 O2 
MOL WT : 234.34
------------------------------ 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) =  3.38
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  348.29  (Adapted Stein & Brown method)
    Melting Pt (deg C):  90.89  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.36E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00447  (Modified Grain method)
    Subcooled liquid VP: 0.000145 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0193 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  37.81
       log Kow used: 3.38 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.4344 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.52E-004  atm-m3/mole  (5.59E+001 Pa-m3/mole)
   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:  2.740E-007 atm-m3/mole  (2.776E-002 Pa-m3/mole)
      VP:   3.36E-005 mm Hg (source: MPBPVP)
      WS:   37.8 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.38  (KowWin est)
  Log Kaw used:  -1.647  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.027
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8102
   Biowin2 (Non-Linear Model)     :   0.9773
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8215  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7386  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5011
   Biowin6 (MITI Non-Linear Model):   0.1921
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4864
 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):  0.0193 Pa (0.000145 mm Hg)
  Log Koa (Koawin est  ): 5.027
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000155 
       Octanol/air (Koa) model:  2.61E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00557 
       Mackay model           :  0.0123 
       Octanol/air (Koa) model:  2.09E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 124.2182 E-12 cm3/molecule-sec
      Half-Life =     0.086 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.033 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =   120.000000 E-17 cm3/molecule-sec
      Half-Life =     0.010 Days (at 7E11 mol/cm3)
      Half-Life =     13.752 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.00892 (Junge-Pankow, Mackay avg)
      2.09E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  3255  L/kg (MCI method)
      Log Koc:  3.513       (MCI method)
      Koc    :  535.9  L/kg (Kow method)
      Log Koc:  2.729       (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 = 1.894 (BCF = 78.31 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.0302 days (HL = 0.9327 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.184 (BCF = 152.7)
   Log BAF Arnot-Gobas method (upper trophic) = 2.184 (BAF = 152.7)
       log Kow used: 3.38 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000552 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      3.186  hours
    Half-Life from Model Lake :      163.1  hours   (6.796 days)
 
 Removal In Wastewater Treatment:
    Total removal:              27.24  percent
    Total biodegradation:        0.14  percent
    Total sludge adsorption:     9.45  percent
    Total to Air:               17.65  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0334          0.206        1000       
   Water     17.3            360          1000       
   Soil      80.9            720          1000       
   Sediment  1.77            3.24e+003    0          
     Persistence Time: 414 hr