CAS Number: 58437-72-2
SMILES : C1C2CCC1C(C)(C)C2=CCO
CHEM   : Ethanol, 2-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)-, (Z)-
MOL FOR: C11 H18 O1 
MOL WT : 166.27
------------------------------ EPI SUMMARY (v4.11) --------------------------
 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 v1.68 estimate) =  3.29
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  251.89  (Adapted Stein & Brown method)
    Melting Pt (deg C):  48.59  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00171  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.228  (Modified Grain method)
    Subcooled liquid VP: 0.00281 mm Hg (25 deg C, Mod-Grain method)
                       : 0.375 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  318.1
       log Kow used: 3.29 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  343.24 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Vinyl/Allyl Alcohols
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   9.24E-006  atm-m3/mole  (9.36E-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:  1.176E-006 atm-m3/mole  (1.192E-001 Pa-m3/mole)
      VP:   0.00171 mm Hg (source: MPBPVP)
      WS:   318 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.29  (KowWin est)
  Log Kaw used:  -3.423  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.713
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6432
   Biowin2 (Non-Linear Model)     :   0.5106
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7796  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5839  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5868
   Biowin6 (MITI Non-Linear Model):   0.5191
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1468
 Ready Biodegradability Prediction:   YES
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.375 Pa (0.00281 mm Hg)
  Log Koa (Koawin est  ): 6.713
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.01E-006 
       Octanol/air (Koa) model:  1.27E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000289 
       Mackay model           :  0.00064 
       Octanol/air (Koa) model:  0.000101 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  95.7119 E-12 cm3/molecule-sec
      Half-Life =     0.112 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.341 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     7.393750 E-17 cm3/molecule-sec
      Half-Life =     0.155 Days (at 7E11 mol/cm3)
      Half-Life =      3.720 Hrs
   Fraction sorbed to airborne particulates (phi):
      0.000465 (Junge-Pankow, Mackay avg)
      0.000101 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  170.6  L/kg (MCI method)
      Log Koc:  2.232       (MCI method)
      Koc    :  215.5  L/kg (Kow method)
      Log Koc:  2.333       (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 = 1.841 (BCF = 69.34 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.2641 days (HL = 1.837 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.216 (BCF = 164.5)
   Log BAF Arnot-Gobas method (upper trophic) = 2.216 (BAF = 164.6)
       log Kow used: 3.29 (estimated)
 
 Volatilization from Water:
    Henry LC:  9.24E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      83.02  hours   (3.459 days)
    Half-Life from Model Lake :       1014  hours   (42.24 days)
 
 Removal In Wastewater Treatment:
    Total removal:               9.52  percent
    Total biodegradation:        0.15  percent
    Total sludge adsorption:     8.89  percent
    Total to Air:                0.48  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.175           1.56         1000       
   Water     26.5            360          1000       
   Soil      73.1            720          1000       
   Sediment  0.225           3.24e+003    0          
     Persistence Time: 439 hr