CAS Number: 10235-63-9
SMILES : O=C(OC(CCC(=C(C)C)C1)(C1)C)C
CHEM   : Cyclohexanol, 1-methyl-4-(1-methylethylidene)-, acetate
MOL FOR: C12 H20 O2 
MOL WT : 196.29
------------------------------ EPI SUMMARY (v4.00) --------------------------
 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 v1.67 estimate) =  4.47
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  243.81  (Adapted Stein & Brown method)
    Melting Pt (deg C):  25.27  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0363  (Modified Grain method)
    VP (Pa, 25 deg C) :  4.84  (Modified Grain method)
    Subcooled liquid VP: 0.0365 mm Hg (25 deg C, Mod-Grain method)
                       : 4.87 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  7.001
       log Kow used: 4.47 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  159.55 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.21E-003  atm-m3/mole  (1.23E+002 Pa-m3/mole)
   Group Method:   8.88E-005  atm-m3/mole  (9.00E+000 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:  1.339E-003 atm-m3/mole  (1.357E+002 Pa-m3/mole)
      VP:   0.0363 mm Hg (source: MPBPVP)
      WS:   7 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.47  (KowWin est)
  Log Kaw used:  -1.306  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.776
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6443
   Biowin2 (Non-Linear Model)     :   0.9294
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6935  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6401  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6201
   Biowin6 (MITI Non-Linear Model):   0.6743
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1246
 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):  4.87 Pa (0.0365 mm Hg)
  Log Koa (Koawin est  ): 5.776
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.16E-007 
       Octanol/air (Koa) model:  1.47E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.23E-005 
       Mackay model           :  4.93E-005 
       Octanol/air (Koa) model:  1.17E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 115.6052 E-12 cm3/molecule-sec
      Half-Life =     0.093 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.110 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =   120.000000 E-17 cm3/molecule-sec
      Half-Life =     0.010 Days (at 7E11 mol/cm3)
      Half-Life =     13.752 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      3.58E-005 (Junge-Pankow, Mackay avg)
      1.17E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  450.6  L/kg (MCI method)
      Log Koc:  2.654       (MCI method)
      Koc    :  2148  L/kg (Kow method)
      Log Koc:  3.332       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  4.610E-002  L/mol-sec
  Kb Half-Life at pH 8:     174.013  days   
  Kb Half-Life at pH 7:       4.764  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.614 (BCF = 411.4 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.3611 days (HL = 0.4354 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.241 (BCF = 174.2)
   Log BAF Arnot-Gobas method (upper trophic) = 2.241 (BAF = 174.3)
       log Kow used: 4.47 (estimated)
 
 Volatilization from Water:
    Henry LC:  8.88E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      10.67  hours
    Half-Life from Model Lake :      233.8  hours   (9.744 days)
 
 Removal In Wastewater Treatment:
    Total removal:              55.70  percent
    Total biodegradation:        0.50  percent
    Total sludge adsorption:    53.29  percent
    Total to Air:                1.91  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0152          0.208        1000       
   Water     16              900          1000       
   Soil      83.6            1.8e+003     1000       
   Sediment  0.399           8.1e+003     0          
     Persistence Time: 897 hr