CAS Num: 052557-97-8
SMILES : O=C(C1C2C(CC(C2)C1)(C)C)OC
CHEM   : Bicyclo[2.2.1]heptane-2-carboxylic acid, 3,3-dimethyl-, methyl ester
MOL FOR: C11 H18 O2 
MOL WT : 182.26
------------------------------ 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) =  3.40

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  216.96  (Adapted Stein & Brown method)
    Melting Pt (deg C):  21.85  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.153  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  20.4  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  66.57
       log Kow used: 3.40 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  92.562 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.29E-004  atm-m3/mole  (3.33E+001 Pa-m3/mole)
   Group Method:   6.58E-005  atm-m3/mole  (6.67E+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:  5.512E-004 atm-m3/mole  (5.585E+001 Pa-m3/mole)
      VP:   0.153 mm Hg (source: MPBPVP)
      WS:   66.6 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.40  (KowWin est)
  Log Kaw used:  -1.871  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.271
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6510
   Biowin2 (Non-Linear Model)     :   0.9414
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7245  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6603  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6790
   Biowin6 (MITI Non-Linear Model):   0.6198
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1933
 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):  18.9 Pa (0.142 mm Hg)
  Log Koa (Koawin est  ): 5.271
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.58E-007 
       Octanol/air (Koa) model:  4.58E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.72E-006 
       Mackay model           :  1.27E-005 
       Octanol/air (Koa) model:  3.67E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   6.4793 E-12 cm3/molecule-sec
      Half-Life =     1.651 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    19.809 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      9.2E-006 (Junge-Pankow, Mackay avg)
      3.67E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  283.8  L/kg (MCI method)
      Log Koc:  2.453       (MCI method)
      Koc    :  549.7  L/kg (Kow method)
      Log Koc:  2.740       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  5.368E-002  L/mol-sec
  Kb Half-Life at pH 8:     149.445  days   
  Kb Half-Life at pH 7:       4.092  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.913 (BCF = 81.76 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.3079 days (HL = 0.4922 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.066 (BCF = 116.3)
   Log BAF Arnot-Gobas method (upper trophic) = 2.066 (BAF = 116.3)
       log Kow used: 3.40 (estimated)

 Volatilization from Water:
    Henry LC:  6.58E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      13.39  hours
    Half-Life from Model Lake :      259.3  hours   (10.8 days)

 Removal In Wastewater Treatment:
    Total removal:              13.80  percent
    Total biodegradation:        0.16  percent
    Total sludge adsorption:    10.61  percent
    Total to Air:                3.03  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.8             39.6         1000       
   Water     17.7            900          1000       
   Soil      80.2            1.8e+003     1000       
   Sediment  0.285           8.1e+003     0          
     Persistence Time: 896 hr