CAS Number: 30649-97-9
SMILES : CC1(C2CC=C(C1C2)C(=O)OC)C
CHEM   : 
MOL FOR: C11 H16 O2 
MOL WT : 180.25
------------------------------ 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) =  3.32
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  223.32  (Adapted Stein & Brown method)
    Melting Pt (deg C):  32.47  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0886  (Modified Grain method)
    VP (Pa, 25 deg C) :  11.8  (Modified Grain method)
    Subcooled liquid VP: 0.103 mm Hg (25 deg C, Mod-Grain method)
                       : 13.8 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  80.54
       log Kow used: 3.32 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  123.53 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.82E-004  atm-m3/mole  (1.84E+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:  2.609E-004 atm-m3/mole  (2.644E+001 Pa-m3/mole)
      VP:   0.0886 mm Hg (source: MPBPVP)
      WS:   80.5 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.32  (KowWin est)
  Log Kaw used:  -2.128  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.448
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6520
   Biowin2 (Non-Linear Model)     :   0.9430
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7289  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6632  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6590
   Biowin6 (MITI Non-Linear Model):   0.6150
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2003
 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):  13.7 Pa (0.103 mm Hg)
  Log Koa (Koawin est  ): 5.448
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.18E-007 
       Octanol/air (Koa) model:  6.89E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  7.89E-006 
       Mackay model           :  1.75E-005 
       Octanol/air (Koa) model:  5.51E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  34.3443 E-12 cm3/molecule-sec
      Half-Life =     0.311 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.737 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     7.393750 E-17 cm3/molecule-sec
      Half-Life =     0.155 Days (at 7E11 mol/cm3)
      Half-Life =      3.720 Hrs
   Fraction sorbed to airborne particulates (phi):
      1.27E-005 (Junge-Pankow, Mackay avg)
      5.51E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  293.1  L/kg (MCI method)
      Log Koc:  2.467       (MCI method)
      Koc    :  496.5  L/kg (Kow method)
      Log Koc:  2.696       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  2.069E-003  L/mol-sec
  Kb Half-Life at pH 8:      10.614  years  
  Kb Half-Life at pH 7:     106.143  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.856 (BCF = 71.83 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.3389 days (HL = 0.4582 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.009 (BCF = 102.2)
   Log BAF Arnot-Gobas method (upper trophic) = 2.009 (BAF = 102.2)
       log Kow used: 3.32 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000182 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      5.689  hours
    Half-Life from Model Lake :      174.6  hours   (7.277 days)
 
 Removal In Wastewater Treatment:
    Total removal:              16.63  percent
    Total biodegradation:        0.15  percent
    Total sludge adsorption:     9.01  percent
    Total to Air:                7.48  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.243           2.48         1000       
   Water     16.4            900          1000       
   Soil      83              1.8e+003     1000       
   Sediment  0.272           8.1e+003     0          
     Persistence Time: 762 hr