CAS Num: 013851-11-1
SMILES : O=C(OC(C(CC1C2)(C2)C)C1(C)C)C
CHEM   : Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, acetate
MOL FOR: C12 H20 O2 
MOL WT : 196.29
------------------------------ 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) =  3.86

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  225.89  (Adapted Stein & Brown method)
    Melting Pt (deg C):  34.11  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0752  (Modified Grain method)
    VP (Pa, 25 deg C) :  10  (Modified Grain method)
    Subcooled liquid VP: 0.0907 mm Hg (25 deg C, Mod-Grain method)
                       : 12.1 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  23.23
       log Kow used: 3.86 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  42.514 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.37E-004  atm-m3/mole  (4.42E+001 Pa-m3/mole)
   Group Method:   9.52E-005  atm-m3/mole  (9.64E+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:  8.361E-004 atm-m3/mole  (8.472E+001 Pa-m3/mole)
      VP:   0.0752 mm Hg (source: MPBPVP)
      WS:   23.2 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.86  (KowWin est)
  Log Kaw used:  -1.748  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.608
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4604
   Biowin2 (Non-Linear Model)     :   0.7015
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4814  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4866  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6929
   Biowin6 (MITI Non-Linear Model):   0.6528
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2600
 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):  12.1 Pa (0.0907 mm Hg)
  Log Koa (Koawin est  ): 5.608
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.48E-007 
       Octanol/air (Koa) model:  9.95E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.96E-006 
       Mackay model           :  1.98E-005 
       Octanol/air (Koa) model:  7.96E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   7.4156 E-12 cm3/molecule-sec
      Half-Life =     1.442 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    17.308 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.44E-005 (Junge-Pankow, Mackay avg)
      7.96E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  415.7  L/kg (MCI method)
      Log Koc:  2.619       (MCI method)
      Koc    :  987.6  L/kg (Kow method)
      Log Koc:  2.995       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  9.548E-002  L/mol-sec
  Kb Half-Life at pH 8:      84.020  days   
  Kb Half-Life at pH 7:       2.300  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.212 (BCF = 162.8 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.2704 days (HL = 0.5366 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.242 (BCF = 174.7)
   Log BAF Arnot-Gobas method (upper trophic) = 2.242 (BAF = 174.7)
       log Kow used: 3.86 (estimated)

 Volatilization from Water:
    Henry LC:  9.52E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      10.05  hours
    Half-Life from Model Lake :      227.1  hours   (9.461 days)

 Removal In Wastewater Treatment:
    Total removal:              27.20  percent
    Total biodegradation:        0.26  percent
    Total sludge adsorption:    23.38  percent
    Total to Air:                3.56  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.7             34.6         1000       
   Water     16              900          1000       
   Soil      81.9            1.8e+003     1000       
   Sediment  0.369           8.1e+003     0          
     Persistence Time: 902 hr