CAS Number: 68917-37-3
SMILES : c1(OC(=O)C)c(C(C)C)ccc(C)c1
CHEM   : Oils, tobacco, resinoid
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) =  3.59
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  258.97  (Adapted Stein & Brown method)
    Melting Pt (deg C):  34.09  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0285  (Modified Grain method)
    VP (Pa, 25 deg C) :  3.8  (Modified Grain method)
    BP  (exp database):  245 deg C
    Subcooled liquid VP: 0.0344 mm Hg (25 deg C, Mod-Grain method)
                       : 4.58 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  40.9
       log Kow used: 3.59 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  46.537 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.39E-004  atm-m3/mole  (1.41E+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:  1.763E-004 atm-m3/mole  (1.786E+001 Pa-m3/mole)
      VP:   0.0285 mm Hg (source: MPBPVP)
      WS:   40.9 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.59  (KowWin est)
  Log Kaw used:  -2.245  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.835
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9395
   Biowin2 (Non-Linear Model)     :   0.9960
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7648  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6623  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5415
   Biowin6 (MITI Non-Linear Model):   0.6011
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0298
 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):  4.59 Pa (0.0344 mm Hg)
  Log Koa (Koawin est  ): 5.835
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.54E-007 
       Octanol/air (Koa) model:  1.68E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.36E-005 
       Mackay model           :  5.23E-005 
       Octanol/air (Koa) model:  1.34E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   8.7701 E-12 cm3/molecule-sec
      Half-Life =     1.220 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    14.635 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      3.8E-005 (Junge-Pankow, Mackay avg)
      1.34E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  493  L/kg (MCI method)
      Log Koc:  2.693       (MCI method)
      Koc    :  700.2  L/kg (Kow method)
      Log Koc:  2.845       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.099E+000  L/mol-sec
  Kb Half-Life at pH 8:       7.301  days   
  Kb Half-Life at pH 7:      73.010  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.038 (BCF = 109.1 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.7736 days (HL = 0.1684 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.785 (BCF = 60.93)
   Log BAF Arnot-Gobas method (upper trophic) = 1.785 (BAF = 60.94)
       log Kow used: 3.59 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000139 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      7.255  hours
    Half-Life from Model Lake :      195.4  hours   (8.142 days)
 
 Removal In Wastewater Treatment:
    Total removal:              20.36  percent
    Total biodegradation:        0.19  percent
    Total sludge adsorption:    14.60  percent
    Total to Air:                5.56  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.97            29.3         1000       
   Water     21              360          1000       
   Soil      75.6            720          1000       
   Sediment  0.408           3.24e+003    0          
     Persistence Time: 427 hr