CAS Num: 000080-27-3
SMILES : O=C(OC(C(CCC(=C1)C)C1)(C)C)CC
CHEM   : 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, propanoate
MOL FOR: C13 H22 O2 
MOL WT : 210.32
------------------------------ 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) =  4.83

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  256.28  (Adapted Stein & Brown method)
    Melting Pt (deg C):  32.25  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0166  (Modified Grain method)
    VP (Pa, 25 deg C) :  2.21  (Modified Grain method)
    Subcooled liquid VP: 0.0193 mm Hg (25 deg C, Mod-Grain method)
                       : 2.57 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.913
       log Kow used: 4.83 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  31.489 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.36E-003  atm-m3/mole  (1.38E+002 Pa-m3/mole)
   Group Method:   1.44E-004  atm-m3/mole  (1.46E+001 Pa-m3/mole)
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  1.577E-003 atm-m3/mole  (1.598E+002 Pa-m3/mole)
      VP:   0.0166 mm Hg (source: MPBPVP)
      WS:   2.91 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.83  (KowWin est)
  Log Kaw used:  -1.255  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.085
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6377
   Biowin2 (Non-Linear Model)     :   0.9152
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6625  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6198  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6267
   Biowin6 (MITI Non-Linear Model):   0.6023
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0127
 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):  2.57 Pa (0.0193 mm Hg)
  Log Koa (Koawin est  ): 6.085
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.17E-006 
       Octanol/air (Koa) model:  2.99E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.21E-005 
       Mackay model           :  9.33E-005 
       Octanol/air (Koa) model:  2.39E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  95.1482 E-12 cm3/molecule-sec
      Half-Life =     0.112 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.349 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    43.000000 E-17 cm3/molecule-sec
      Half-Life =     0.027 Days (at 7E11 mol/cm3)
      Half-Life =     38.378 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      6.77E-005 (Junge-Pankow, Mackay avg)
      2.39E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  846.7  L/kg (MCI method)
      Log Koc:  2.928       (MCI method)
      Koc    :  3397  L/kg (Kow method)
      Log Koc:  3.531       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  8.630E-003  L/mol-sec
  Kb Half-Life at pH 8:       2.545  years  
  Kb Half-Life at pH 7:      25.450  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.853 (BCF = 712.4 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.2466 days (HL = 0.5668 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.362 (BCF = 230.2)
   Log BAF Arnot-Gobas method (upper trophic) = 2.363 (BAF = 230.5)
       log Kow used: 4.83 (estimated)

 Volatilization from Water:
    Henry LC:  0.000144 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      7.376  hours
    Half-Life from Model Lake :      202.1  hours   (8.42 days)

 Removal In Wastewater Treatment:
    Total removal:              72.42  percent
    Total biodegradation:        0.62  percent
    Total sludge adsorption:    70.12  percent
    Total to Air:                1.68  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0385          0.517        1000       
   Water     13.9            900          1000       
   Soil      85.4            1.8e+003     1000       
   Sediment  0.651           8.1e+003     0          
     Persistence Time: 912 hr