CAS Number: 32151-09-0
SMILES : CC(=C)C1C(C=CCC1=C)OC(=O)C
CHEM   : 
MOL FOR: C12 H16 O2 
MOL WT : 192.26
------------------------------ 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) =  4.16
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  242.23  (Adapted Stein & Brown method)
    Melting Pt (deg C):  11.90  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0412  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  5.49  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  13.46
       log Kow used: 4.16 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  45.948 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
       Vinyl/Allyl Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.74E-004  atm-m3/mole  (6.83E+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:  7.743E-004 atm-m3/mole  (7.846E+001 Pa-m3/mole)
      VP:   0.0412 mm Hg (source: MPBPVP)
      WS:   13.5 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.16  (KowWin est)
  Log Kaw used:  -1.560  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.720
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8302
   Biowin2 (Non-Linear Model)     :   0.9874
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9145  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7993  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5665
   Biowin6 (MITI Non-Linear Model):   0.4035
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3665
 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):  5.28 Pa (0.0396 mm Hg)
  Log Koa (Koawin est  ): 5.720
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.68E-007 
       Octanol/air (Koa) model:  1.29E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.05E-005 
       Mackay model           :  4.55E-005 
       Octanol/air (Koa) model:  1.03E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 166.5163 E-12 cm3/molecule-sec
      Half-Life =     0.064 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.771 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    22.400002 E-17 cm3/molecule-sec
      Half-Life =     0.051 Days (at 7E11 mol/cm3)
      Half-Life =      1.228 Hrs
   Fraction sorbed to airborne particulates (phi):
      3.3E-005 (Junge-Pankow, Mackay avg)
      1.03E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  503  L/kg (MCI method)
      Log Koc:  2.702       (MCI method)
      Koc    :  1447  L/kg (Kow method)
      Log Koc:  3.161       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  2.805E-003  L/mol-sec
  Kb Half-Life at pH 8:       7.829  years  
  Kb Half-Life at pH 7:      78.287  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.411 (BCF = 257.4 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.3079 days (HL = 0.4922 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.264 (BCF = 183.5)
   Log BAF Arnot-Gobas method (upper trophic) = 2.264 (BAF = 183.5)
       log Kow used: 4.16 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000674 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.619  hours
    Half-Life from Model Lake :      144.8  hours   (6.035 days)
 
 Removal In Wastewater Treatment:
    Total removal:              49.11  percent
    Total biodegradation:        0.33  percent
    Total sludge adsorption:    34.56  percent
    Total to Air:               14.22  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.147           0.683        1000       
   Water     20.4            360          1000       
   Soil      79              720          1000       
   Sediment  0.403           3.24e+003    0          
     Persistence Time: 349 hr