CAS Number: 76-50-6
SMILES : O=C(OC(C(C(C1C2)(C)C)(C2)C)C1)CC(C)C
CHEM   : Butanoic acid, 3-methyl-, 1,7,7-trimethylbicyclo 2.2.1 hept-2-yl este
         r, endo-
MOL FOR: C15 H26 O2 
MOL WT : 238.37
------------------------------ 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) =  5.26
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  268.12  (Adapted Stein & Brown method)
    Melting Pt (deg C):  56.81  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0182  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  2.43  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  < 25 deg C
    BP  (exp database):  257.5 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.8885
       log Kow used: 5.26 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.1187 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.02E-003  atm-m3/mole  (1.03E+002 Pa-m3/mole)
   Group Method:   3.22E-004  atm-m3/mole  (3.27E+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:  6.425E-003 atm-m3/mole  (6.510E+002 Pa-m3/mole)
      VP:   0.0182 mm Hg (source: MPBPVP)
      WS:   0.888 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.26  (KowWin est)
  Log Kaw used:  -1.380  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.640
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4404
   Biowin2 (Non-Linear Model)     :   0.5639
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3884  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4259  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5668
   Biowin6 (MITI Non-Linear Model):   0.4417
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4794
 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):  2.41 Pa (0.0181 mm Hg)
  Log Koa (Koawin est  ): 6.640
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.24E-006 
       Octanol/air (Koa) model:  1.07E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.49E-005 
       Mackay model           :  9.94E-005 
       Octanol/air (Koa) model:  8.57E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  10.7759 E-12 cm3/molecule-sec
      Half-Life =     0.993 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    11.911 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      7.22E-005 (Junge-Pankow, Mackay avg)
      8.57E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2258  L/kg (MCI method)
      Log Koc:  3.354       (MCI method)
      Koc    :  5874  L/kg (Kow method)
      Log Koc:  3.769       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.331E-002  L/mol-sec
  Kb Half-Life at pH 8:       1.650  years  
  Kb Half-Life at pH 7:      16.497  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 3.135 (BCF = 1366 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.1300 days (HL = 1.349 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.725 (BCF = 531.2)
   Log BAF Arnot-Gobas method (upper trophic) = 2.733 (BAF = 540.3)
       log Kow used: 5.26 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000322 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      4.383  hours
    Half-Life from Model Lake :      177.3  hours   (7.386 days)
 
 Removal In Wastewater Treatment:
    Total removal:              84.87  percent
    Total biodegradation:        0.70  percent
    Total sludge adsorption:    82.69  percent
    Total to Air:                1.47  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.36            23.8         1000       
   Water     11.4            900          1000       
   Soil      85.8            1.8e+003     1000       
   Sediment  1.45            8.1e+003     0          
     Persistence Time: 938 hr