CAS Number: 67999-48-8
SMILES : CC1=CCC2C(C1C2(C)C)OC(=O)C
CHEM   : [(1R,5S)-4,7,7-trimethyl-6-bicyclo[3.1.1]hept-3-enyl] acetate
MOL FOR: C12 H18 O2 
MOL WT : 194.28
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  3.74
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  236.46  (Adapted Stein & Brown method)
    Melting Pt (deg C):  39.82  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.039  (Modified Grain method)
    VP (Pa, 25 deg C) :  5.2  (Modified Grain method)
    Subcooled liquid VP: 0.0531 mm Hg (25 deg C, Mod-Grain method)
                       : 7.09 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  30.19
       log Kow used: 3.74 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  40.304 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.53E-004  atm-m3/mole  (4.59E+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:  3.302E-004 atm-m3/mole  (3.346E+001 Pa-m3/mole)
      VP:   0.039 mm Hg (source: MPBPVP)
      WS:   30.2 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.74  (KowWin est)
  Log Kaw used:  -1.732  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.472
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6453
   Biowin2 (Non-Linear Model)     :   0.9313
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6979  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6430  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6104
   Biowin6 (MITI Non-Linear Model):   0.4296
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2802
 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):  7.08 Pa (0.0531 mm Hg)
  Log Koa (Koawin est  ): 5.472
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.24E-007 
       Octanol/air (Koa) model:  7.28E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.53E-005 
       Mackay model           :  3.39E-005 
       Octanol/air (Koa) model:  5.82E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  91.7091 E-12 cm3/molecule-sec
      Half-Life =     0.117 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.400 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    43.000000 E-17 cm3/molecule-sec
      Half-Life =     0.027 Days (at 7E11 mol/cm3)
      Half-Life =     38.378 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      2.46E-005 (Junge-Pankow, Mackay avg)
      5.82E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  458.4  L/kg (MCI method)
      Log Koc:  2.661       (MCI method)
      Koc    :  847.6  L/kg (Kow method)
      Log Koc:  2.928       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.252E-001  L/mol-sec
  Kb Half-Life at pH 8:      64.059  days   
  Kb Half-Life at pH 7:       1.754  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.132 (BCF = 135.5 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.0851 days (HL = 0.8221 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.334 (BCF = 216)
   Log BAF Arnot-Gobas method (upper trophic) = 2.335 (BAF = 216.1)
       log Kow used: 3.74 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000453 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      3.224  hours
    Half-Life from Model Lake :        152  hours   (6.335 days)
 
 Removal In Wastewater Treatment:
    Total removal:              31.99  percent
    Total biodegradation:        0.21  percent
    Total sludge adsorption:    18.13  percent
    Total to Air:               13.65  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0649          0.521        1000       
   Water     14.9            900          1000       
   Soil      84.7            1.8e+003     1000       
   Sediment  0.378           8.1e+003     0          
     Persistence Time: 685 hr