CAS Num: 072928-52-0
SMILES : O=COCC(C(CC1C2)C1(C)C)=C2
CHEM   : Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-, formate
MOL FOR: C11 H16 O2 
MOL WT : 180.25
------------------------------ 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) =  3.26

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  225.05  (Adapted Stein & Brown method)
    Melting Pt (deg C):  33.35  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0797  (Modified Grain method)
    VP (Pa, 25 deg C) :  10.6  (Modified Grain method)
    Subcooled liquid VP: 0.0946 mm Hg (25 deg C, Mod-Grain method)
                       : 12.6 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  89.95
       log Kow used: 3.26 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  75.164 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.20E-004  atm-m3/mole  (6.29E+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:  2.101E-004 atm-m3/mole  (2.129E+001 Pa-m3/mole)
      VP:   0.0797 mm Hg (source: MPBPVP)
      WS:   90 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.26  (KowWin est)
  Log Kaw used:  -1.596  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.856
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6520
   Biowin2 (Non-Linear Model)     :   0.9430
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7289  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6632  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7080
   Biowin6 (MITI Non-Linear Model):   0.7065
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3059
 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):  12.6 Pa (0.0946 mm Hg)
  Log Koa (Koawin est  ): 4.856
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.38E-007 
       Octanol/air (Koa) model:  1.76E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.59E-006 
       Mackay model           :  1.9E-005 
       Octanol/air (Koa) model:  1.41E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  92.1061 E-12 cm3/molecule-sec
      Half-Life =     0.116 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.394 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):
      1.38E-005 (Junge-Pankow, Mackay avg)
      1.41E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  326.2  L/kg (MCI method)
      Log Koc:  2.514       (MCI method)
      Koc    :  459.9  L/kg (Kow method)
      Log Koc:  2.663       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  4.253E+001  L/mol-sec
  Kb Half-Life at pH 8:       4.527  hours  
  Kb Half-Life at pH 7:       1.886  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.819 (BCF = 65.95 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.5771 days (HL = 0.2648 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.845 (BCF = 70.06)
   Log BAF Arnot-Gobas method (upper trophic) = 1.845 (BAF = 70.06)
       log Kow used: 3.26 (estimated)

 Volatilization from Water:
    Henry LC:  0.00062 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.638  hours
    Half-Life from Model Lake :      141.4  hours   (5.89 days)

 Removal In Wastewater Treatment:
    Total removal:              27.34  percent
    Total biodegradation:        0.12  percent
    Total sludge adsorption:     7.58  percent
    Total to Air:               19.64  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0876          0.52         1000       
   Water     17.6            900          1000       
   Soil      82              1.8e+003     1000       
   Sediment  0.322           8.1e+003     0          
     Persistence Time: 555 hr