CAS Num: 059259-38-0
SMILES : C1(C(C)C)C(OC(=O)C(O)C)CC(C)CC1
CHEM   : Propanoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl este
         r, [1R-[1a(R*),2 ,5a]]-
MOL FOR: C13 H24 O3 
MOL WT : 228.33
------------------------------ 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) =  3.34

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  297.71  (Adapted Stein & Brown method)
    Melting Pt (deg C):  47.66  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  9.69E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0129  (Modified Grain method)
    Subcooled liquid VP: 0.000156 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0208 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  141.4
       log Kow used: 3.34 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  732.12 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.05E-004  atm-m3/mole  (2.08E+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:  2.059E-007 atm-m3/mole  (2.086E-002 Pa-m3/mole)
      VP:   9.69E-005 mm Hg (source: MPBPVP)
      WS:   141 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.34  (KowWin est)
  Log Kaw used:  -2.077  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.417
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9718
   Biowin2 (Non-Linear Model)     :   0.9931
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9948  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8767  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5345
   Biowin6 (MITI Non-Linear Model):   0.3974
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2490
 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):  0.0208 Pa (0.000156 mm Hg)
  Log Koa (Koawin est  ): 5.417
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000144 
       Octanol/air (Koa) model:  6.41E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00518 
       Mackay model           :  0.0114 
       Octanol/air (Koa) model:  5.13E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  20.7805 E-12 cm3/molecule-sec
      Half-Life =     0.515 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.177 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00829 (Junge-Pankow, Mackay avg)
      5.13E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  70.73  L/kg (MCI method)
      Log Koc:  1.850       (MCI method)
      Koc    :  197.5  L/kg (Kow method)
      Log Koc:  2.296       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  2.787E-001  L/mol-sec
  Kb Half-Life at pH 8:      28.786  days   
  Kb Half-Life at pH 7:     287.861  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.870 (BCF = 74.19 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.9938 days (HL = 0.1014 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.557 (BCF = 36.09)
   Log BAF Arnot-Gobas method (upper trophic) = 1.557 (BAF = 36.09)
       log Kow used: 3.34 (estimated)

 Volatilization from Water:
    Henry LC:  0.000205 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      5.858  hours
    Half-Life from Model Lake :      190.6  hours   (7.942 days)

 Removal In Wastewater Treatment:
    Total removal:              17.65  percent
    Total biodegradation:        0.15  percent
    Total sludge adsorption:     9.29  percent
    Total to Air:                8.22  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.53            12.4         1000       
   Water     28.2            360          1000       
   Soil      69.1            720          1000       
   Sediment  0.133           3.24e+003    0          
     Persistence Time: 316 hr