CAS Number: 
SMILES : CCCC1(C=CC(O1)C)C(C)(C)C
CHEM   : 5-tert-butyl-2-methyl-5-propyl-2H-furan
MOL FOR: C12 H22 O1 
MOL WT : 182.31
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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) =  4.35
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  204.49  (Adapted Stein & Brown method)
    Melting Pt (deg C):  8.94  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.418  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  55.7  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  10.25
       log Kow used: 4.35 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  49.181 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Vinyl/Allyl Ethers
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.68E-003  atm-m3/mole  (5.76E+002 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:  9.782E-003 atm-m3/mole  (9.912E+002 Pa-m3/mole)
      VP:   0.418 mm Hg (source: MPBPVP)
      WS:   10.3 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.35  (KowWin est)
  Log Kaw used:  -0.634  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.984
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.0545
   Biowin2 (Non-Linear Model)     :   0.0016
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3634  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2681  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4322
   Biowin6 (MITI Non-Linear Model):   0.2382
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.5431
 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):  51.3 Pa (0.385 mm Hg)
  Log Koa (Koawin est  ): 4.984
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.84E-008 
       Octanol/air (Koa) model:  2.37E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.11E-006 
       Mackay model           :  4.68E-006 
       Octanol/air (Koa) model:  1.89E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  69.9799 E-12 cm3/molecule-sec
      Half-Life =     0.153 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.834 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.137500 E-17 cm3/molecule-sec
      Half-Life =     1.007 Days (at 7E11 mol/cm3)
      Half-Life =     24.179 Hrs
   Fraction sorbed to airborne particulates (phi):
      3.39E-006 (Junge-Pankow, Mackay avg)
      1.89E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  645.5  L/kg (MCI method)
      Log Koc:  2.810       (MCI method)
      Koc    :  1740  L/kg (Kow method)
      Log Koc:  3.241       (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 = 2.540 (BCF = 347 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.1980 days (HL = 1.578 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.713 (BCF = 516.2)
   Log BAF Arnot-Gobas method (upper trophic) = 2.714 (BAF = 517.7)
       log Kow used: 4.35 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.00568 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.517  hours
    Half-Life from Model Lake :      129.8  hours   (5.407 days)
 
 Removal In Wastewater Treatment:
    Total removal:              79.09  percent
    Total biodegradation:        0.24  percent
    Total sludge adsorption:    35.92  percent
    Total to Air:               42.93  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.3             3.18         1000       
   Water     30.4            900          1000       
   Soil      67.2            1.8e+003     1000       
   Sediment  1.08            8.1e+003     0          
     Persistence Time: 266 hr