CAS Number: 66465-62-1
SMILES : O(C(C1)C2(C)C)C(C1)(C)C2=CC=CC
CHEM   : 7-Oxabicyclo[2.2.1]heptane, 2-(2-butenylidene)-1,3,3-trimethyl-, (Z,E
         )- (9CI)
MOL FOR: C13 H20 O1 
MOL WT : 192.30
------------------------------ 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) =  4.23
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  239.59  (Adapted Stein & Brown method)
    Melting Pt (deg C):  41.12  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0512  (Modified Grain method)
    VP (Pa, 25 deg C) :  6.83  (Modified Grain method)
    Subcooled liquid VP: 0.0717 mm Hg (25 deg C, Mod-Grain method)
                       : 9.56 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  11.62
       log Kow used: 4.23 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  52.41 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Vinyl/Allyl Ethers
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.54E-004  atm-m3/mole  (3.59E+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:  1.115E-003 atm-m3/mole  (1.130E+002 Pa-m3/mole)
      VP:   0.0512 mm Hg (source: MPBPVP)
      WS:   11.6 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.23  (KowWin est)
  Log Kaw used:  -1.839  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.069
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.0492
   Biowin2 (Non-Linear Model)     :   0.0085
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6396  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5227  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3489
   Biowin6 (MITI Non-Linear Model):   0.1384
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.1468
 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):  9.56 Pa (0.0717 mm Hg)
  Log Koa (Koawin est  ): 6.069
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.14E-007 
       Octanol/air (Koa) model:  2.88E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.13E-005 
       Mackay model           :  2.51E-005 
       Octanol/air (Koa) model:  2.3E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 201.7576 E-12 cm3/molecule-sec
      Half-Life =     0.053 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.636 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     5.265000 E-17 cm3/molecule-sec
      Half-Life =     0.218 Days (at 7E11 mol/cm3)
      Half-Life =      5.224 Hrs
   Fraction sorbed to airborne particulates (phi):
      1.82E-005 (Junge-Pankow, Mackay avg)
      2.3E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1316  L/kg (MCI method)
      Log Koc:  3.119       (MCI method)
      Koc    :  1494  L/kg (Kow method)
      Log Koc:  3.174       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
    Rate constants can NOT be estimated for this structure!
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.460 (BCF = 288.2 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.8144 days (HL = 6.523 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.027 (BCF = 1063)
   Log BAF Arnot-Gobas method (upper trophic) = 3.040 (BAF = 1096)
       log Kow used: 4.23 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000354 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      3.709  hours
    Half-Life from Model Lake :      156.7  hours   (6.531 days)
 
 Removal In Wastewater Treatment:
    Total removal:              47.73  percent
    Total biodegradation:        0.38  percent
    Total sludge adsorption:    39.22  percent
    Total to Air:                8.13  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0873          1.02         1000       
   Water     12              900          1000       
   Soil      87              1.8e+003     1000       
   Sediment  0.881           8.1e+003     0          
     Persistence Time: 871 hr