CAS Number: 2623-23-6
SMILES : O=C(OC(C(CCC1C)C(C)C)C1)C
CHEM   : Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate,  1R-(1.alpha.,2.b
         eta.,5.alpha.) -
MOL FOR: C12 H22 O2 
MOL WT : 198.31
------------------------------ EPI SUMMARY (v4.11) --------------------------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Water Solubility (mg/L):   ------
 Physical Property Inputs:
    Vapor Pressure (mm Hg) :   ------
    Melting Point (deg C)  :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  4.39
    Log Kow (Exper. database match) =  4.00
       Exper. Ref:  GRIFFIN,S ET AL. (1999)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  234.50  (Adapted Stein & Brown method)
    Melting Pt (deg C):  0.67  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0913  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  12.2  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  < 25 deg C
    BP  (exp database):  227 deg C
    VP  (exp database):  1.04E-01 mm Hg (1.39E+001 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  17.13
       log Kow used: 4.00 (expkow database)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  53.781 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   9.90E-004  atm-m3/mole  (1.00E+002 Pa-m3/mole)
   Group Method:   8.29E-004  atm-m3/mole  (8.40E+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:  1.391E-003 atm-m3/mole  (1.409E+002 Pa-m3/mole)
      VP:   0.0913 mm Hg (source: MPBPVP)
      WS:   17.1 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.00  (exp database)
  Log Kaw used:  -1.393  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.393
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8273
   Biowin2 (Non-Linear Model)     :   0.9862
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9011  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7906  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5134
   Biowin6 (MITI Non-Linear Model):   0.3884
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2821
 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):  13.9 Pa (0.104 mm Hg)
  Log Koa (Koawin est  ): 5.393
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.16E-007 
       Octanol/air (Koa) model:  6.07E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  7.81E-006 
       Mackay model           :  1.73E-005 
       Octanol/air (Koa) model:  4.85E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  18.4105 E-12 cm3/molecule-sec
      Half-Life =     0.581 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.972 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.26E-005 (Junge-Pankow, Mackay avg)
      4.85E-006 (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    :  1180  L/kg (Kow method)
      Log Koc:  3.072       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  3.014E-002  L/mol-sec
  Kb Half-Life at pH 8:     266.184  days   
  Kb Half-Life at pH 7:       7.288  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.306 (BCF = 202.4 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.4610 days (HL = 0.3459 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.111 (BCF = 129)
   Log BAF Arnot-Gobas method (upper trophic) = 2.111 (BAF = 129)
       log Kow used: 4.00 (expkow database)
 
 Volatilization from Water:
    Henry LC:  0.000829 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      2.432  hours
    Half-Life from Model Lake :      144.6  hours   (6.025 days)
 
 Removal In Wastewater Treatment:
    Total removal:              45.68  percent
    Total biodegradation:        0.26  percent
    Total sludge adsorption:    26.84  percent
    Total to Air:               18.58  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.64            13.9         1000       
   Water     20.3            360          1000       
   Soil      76.6            720          1000       
   Sediment  0.395           3.24e+003    0          
     Persistence Time: 344 hr