CAS Number: 
SMILES : CC1=C(C(CCC1(=O))(C)C)C=CC(C)O
CHEM   : 
MOL FOR: C13 H20 O2 
MOL WT : 208.30
------------------------------ 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) =  2.89
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  318.76  (Adapted Stein & Brown method)
    Melting Pt (deg C):  91.36  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  9.22E-006  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00123  (Modified Grain method)
    Subcooled liquid VP: 4.02E-005 mm Hg (25 deg C, Mod-Grain method)
                       : 0.00537 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  440.8
       log Kow used: 2.89 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  586.76 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Vinyl/Allyl Ketones
       Vinyl/Allyl Alcohols
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.36E-009  atm-m3/mole  (6.44E-004 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:  5.733E-009 atm-m3/mole  (5.809E-004 Pa-m3/mole)
      VP:   9.22E-006 mm Hg (source: MPBPVP)
      WS:   441 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.89  (KowWin est)
  Log Kaw used:  -6.585  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.475
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6300
   Biowin2 (Non-Linear Model)     :   0.2674
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6642  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5010  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4417
   Biowin6 (MITI Non-Linear Model):   0.3223
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.6285
 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):  0.00536 Pa (4.02E-005 mm Hg)
  Log Koa (Koawin est  ): 9.475
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00056 
       Octanol/air (Koa) model:  0.000733 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0198 
       Mackay model           :  0.0429 
       Octanol/air (Koa) model:  0.0554 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 246.9099 E-12 cm3/molecule-sec
      Half-Life =     0.043 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.520 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    34.222500 E-17 cm3/molecule-sec
      Half-Life =     0.033 Days (at 7E11 mol/cm3)
      Half-Life =     48.221 Min
   Fraction sorbed to airborne particulates (phi):
      0.0313 (Junge-Pankow, Mackay avg)
      0.0554 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  52.5  L/kg (MCI method)
      Log Koc:  1.720       (MCI method)
      Koc    :  203.1  L/kg (Kow method)
      Log Koc:  2.308       (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 = 1.571 (BCF = 37.21 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.5451 days (HL = 0.285 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.676 (BCF = 47.45)
   Log BAF Arnot-Gobas method (upper trophic) = 1.676 (BAF = 47.45)
       log Kow used: 2.89 (estimated)
 
 Volatilization from Water:
    Henry LC:  6.36E-009 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.329E+005  hours   (5536 days)
    Half-Life from Model Lake :  1.45E+006  hours   (6.04E+004 days)
 
 Removal In Wastewater Treatment:
    Total removal:               4.86  percent
    Total biodegradation:        0.12  percent
    Total sludge adsorption:     4.74  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.018           0.453        1000       
   Water     26.4            900          1000       
   Soil      73.5            1.8e+003     1000       
   Sediment  0.116           8.1e+003     0          
     Persistence Time: 975 hr