CAS Number: 1686-15-3
SMILES : C=C1C2CC(CC1OC(=O)(C))C2(C)C
CHEM   : 
MOL FOR: C12 H18 O2 
MOL WT : 194.28
------------------------------ 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) =  3.81
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  231.06  (Adapted Stein & Brown method)
    Melting Pt (deg C):  38.44  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0528  (Modified Grain method)
    VP (Pa, 25 deg C) :  7.04  (Modified Grain method)
    Subcooled liquid VP: 0.0699 mm Hg (25 deg C, Mod-Grain method)
                       : 9.31 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  25.86
       log Kow used: 3.81 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  30.304 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
       Vinyl/Allyl Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.84E-004  atm-m3/mole  (3.89E+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:  5.219E-004 atm-m3/mole  (5.289E+001 Pa-m3/mole)
      VP:   0.0528 mm Hg (source: MPBPVP)
      WS:   25.9 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.81  (KowWin est)
  Log Kaw used:  -1.804  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.614
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6453
   Biowin2 (Non-Linear Model)     :   0.9313
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6979  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6430  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6359
   Biowin6 (MITI Non-Linear Model):   0.4906
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1663
 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):  9.32 Pa (0.0699 mm Hg)
  Log Koa (Koawin est  ): 5.614
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.22E-007 
       Octanol/air (Koa) model:  1.01E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.16E-005 
       Mackay model           :  2.58E-005 
       Octanol/air (Koa) model:  8.07E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  59.2360 E-12 cm3/molecule-sec
      Half-Life =     0.181 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.167 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.200000 E-17 cm3/molecule-sec
      Half-Life =     0.955 Days (at 7E11 mol/cm3)
      Half-Life =     22.920 Hrs
   Fraction sorbed to airborne particulates (phi):
      1.87E-005 (Junge-Pankow, Mackay avg)
      8.07E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  449.2  L/kg (MCI method)
      Log Koc:  2.652       (MCI method)
      Koc    :  926.7  L/kg (Kow method)
      Log Koc:  2.967       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  3.069E-002  L/mol-sec
  Kb Half-Life at pH 8:     261.386  days   
  Kb Half-Life at pH 7:       7.156  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.184 (BCF = 152.6 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.1109 days (HL = 0.7746 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.345 (BCF = 221.5)
   Log BAF Arnot-Gobas method (upper trophic) = 2.345 (BAF = 221.5)
       log Kow used: 3.81 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000384 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      3.548  hours
    Half-Life from Model Lake :      155.6  hours   (6.482 days)
 
 Removal In Wastewater Treatment:
    Total removal:              32.50  percent
    Total biodegradation:        0.23  percent
    Total sludge adsorption:    20.62  percent
    Total to Air:               11.65  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.407           3.65         1000       
   Water     14.8            900          1000       
   Soil      84.5            1.8e+003     1000       
   Sediment  0.367           8.1e+003     0          
     Persistence Time: 713 hr