CAS Number: 68165-37-7
SMILES : O=C(C(=C(C)C)CC)C(C)(C)C
CHEM   : 
MOL FOR: C11 H20 O1 
MOL WT : 168.28
------------------------------ 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) =  3.77
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  200.10  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -18.45  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.515  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  68.7  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  37.89
       log Kow used: 3.77 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  65.222 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 :   3.12E-004  atm-m3/mole  (3.17E+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:  3.010E-003 atm-m3/mole  (3.049E+002 Pa-m3/mole)
      VP:   0.515 mm Hg (source: MPBPVP)
      WS:   37.9 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.77  (KowWin est)
  Log Kaw used:  -1.894  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.664
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4903
   Biowin2 (Non-Linear Model)     :   0.1741
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5927  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4293  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4487
   Biowin6 (MITI Non-Linear Model):   0.3650
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3415
 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):  63.1 Pa (0.473 mm Hg)
  Log Koa (Koawin est  ): 5.664
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.76E-008 
       Octanol/air (Koa) model:  1.13E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.72E-006 
       Mackay model           :  3.81E-006 
       Octanol/air (Koa) model:  9.06E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 101.9645 E-12 cm3/molecule-sec
      Half-Life =     0.105 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.259 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    48.059372 E-17 cm3/molecule-sec
      Half-Life =     0.024 Days (at 7E11 mol/cm3)
      Half-Life =     34.337 Min
   Fraction sorbed to airborne particulates (phi):
      2.76E-006 (Junge-Pankow, Mackay avg)
      9.06E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  171.8  L/kg (MCI method)
      Log Koc:  2.235       (MCI method)
      Koc    :  1607  L/kg (Kow method)
      Log Koc:  3.206       (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 = 2.154 (BCF = 142.4 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.2060 days (HL = 1.607 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.509 (BCF = 322.9)
   Log BAF Arnot-Gobas method (upper trophic) = 2.509 (BAF = 323.1)
       log Kow used: 3.77 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000312 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      3.758  hours
    Half-Life from Model Lake :      149.8  hours   (6.24 days)
 
 Removal In Wastewater Treatment:
    Total removal:              29.75  percent
    Total biodegradation:        0.22  percent
    Total sludge adsorption:    19.44  percent
    Total to Air:               10.09  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0741          0.466        1000       
   Water     20              900          1000       
   Soil      79.7            1.8e+003     1000       
   Sediment  0.206           8.1e+003     0          
     Persistence Time: 565 hr