CAS Num: 094386-39-7
SMILES : C1(C)=CCC(C(C)=C)CC1OC(=O)CC(C)C
CHEM   : Butanoic acid, 3-methyl-, 2-methyl-5-(1-methylethenyl)-2-cyclohexen-1
         -yl ester
MOL FOR: C15 H24 O2 
MOL WT : 236.36
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  5.69

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  285.07  (Adapted Stein & Brown method)
    Melting Pt (deg C):  23.46  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0043  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.573  (Modified Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.3854
       log Kow used: 5.69 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.6017 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 :   2.12E-003  atm-m3/mole  (2.14E+002 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:  3.470E-003 atm-m3/mole  (3.516E+002 Pa-m3/mole)
      VP:   0.0043 mm Hg (source: MPBPVP)
      WS:   0.385 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.69  (KowWin est)
  Log Kaw used:  -1.062  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.752
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8092
   Biowin2 (Non-Linear Model)     :   0.9766
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8171  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7357  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4360
   Biowin6 (MITI Non-Linear Model):   0.2415
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1681
 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):  0.573 Pa (0.0043 mm Hg)
  Log Koa (Koawin est  ): 6.752
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.23E-006 
       Octanol/air (Koa) model:  1.39E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000189 
       Mackay model           :  0.000418 
       Octanol/air (Koa) model:  0.000111 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 150.9637 E-12 cm3/molecule-sec
      Half-Life =     0.071 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.850 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    44.200001 E-17 cm3/molecule-sec
      Half-Life =     0.026 Days (at 7E11 mol/cm3)
      Half-Life =     37.336 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.000304 (Junge-Pankow, Mackay avg)
      0.000111 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2627  L/kg (MCI method)
      Log Koc:  3.419       (MCI method)
      Koc    :  1.016E+004  L/kg (Kow method)
      Log Koc:  4.007       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  4.280E-003  L/mol-sec
  Kb Half-Life at pH 8:       5.132  years  
  Kb Half-Life at pH 7:      51.321  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 3.424 (BCF = 2656 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.1741 days (HL = 1.493 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.749 (BCF = 560.7)
   Log BAF Arnot-Gobas method (upper trophic) = 2.773 (BAF = 592.8)
       log Kow used: 5.69 (estimated)

 Volatilization from Water:
    Henry LC:  0.00212 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.993  hours
    Half-Life from Model Lake :      150.7  hours   (6.277 days)

 Removal In Wastewater Treatment:
    Total removal:              90.95  percent
    Total biodegradation:        0.72  percent
    Total sludge adsorption:    87.15  percent
    Total to Air:                3.08  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0905          0.456        1000       
   Water     17.5            360          1000       
   Soil      81              720          1000       
   Sediment  1.44            3.24e+003    0          
     Persistence Time: 373 hr