CAS Number: 
SMILES : O=C(C=CC)C(=C(C(C)C)CC)C
CHEM   : 
MOL FOR: C12 H20 O1 
MOL WT : 180.29
------------------------------ 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) =  4.08
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  232.71  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -14.55  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.105  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  14  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  17.91
       log Kow used: 4.08 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  30.566 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Vinyl/Allyl Ketones
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.94E-004  atm-m3/mole  (1.97E+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:  1.391E-003 atm-m3/mole  (1.409E+002 Pa-m3/mole)
      VP:   0.105 mm Hg (source: MPBPVP)
      WS:   17.9 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.08  (KowWin est)
  Log Kaw used:  -2.101  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.181
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6685
   Biowin2 (Non-Linear Model)     :   0.4989
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7783  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5654  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3067
   Biowin6 (MITI Non-Linear Model):   0.2039
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2406
 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):  13.3 Pa (0.1 mm Hg)
  Log Koa (Koawin est  ): 6.181
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.25E-007 
       Octanol/air (Koa) model:  3.72E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.13E-006 
       Mackay model           :  1.8E-005 
       Octanol/air (Koa) model:  2.98E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  61.8878 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  64.5478 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    2.074 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.988 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    48.628120 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    49.196873 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     0.566 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     0.559 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi):
      1.31E-005 (Junge-Pankow, Mackay avg)
      2.98E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  416.4  L/kg (MCI method)
      Log Koc:  2.619       (MCI method)
      Koc    :  2385  L/kg (Kow method)
      Log Koc:  3.377       (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 = 2.361 (BCF = 229.4 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.3314 days (HL = 2.145 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.720 (BCF = 525.2)
   Log BAF Arnot-Gobas method (upper trophic) = 2.722 (BAF = 526.7)
       log Kow used: 4.08 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000194 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      5.422  hours
    Half-Life from Model Lake :      171.7  hours   (7.156 days)
 
 Removal In Wastewater Treatment:
    Total removal:              38.46  percent
    Total biodegradation:        0.33  percent
    Total sludge adsorption:    32.45  percent
    Total to Air:                5.67  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.081           0.498        1000       
   Water     21.2            360          1000       
   Soil      78.3            720          1000       
   Sediment  0.359           3.24e+003    0          
     Persistence Time: 398 hr