CAS Number: 84607-56-7
SMILES : CCCCCC(=O)C(=CC)C
CHEM   : 
MOL FOR: C10 H18 O1 
MOL WT : 154.25
------------------------------ 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) =  3.33
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  205.48  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -16.75  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.398  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  53.1  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  103.6
       log Kow used: 3.33 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  50.899 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Vinyl/Allyl Ketones
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.99E-004  atm-m3/mole  (2.02E+001 Pa-m3/mole)
   Group Method:   3.38E-004  atm-m3/mole  (3.42E+001 Pa-m3/mole)
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  7.797E-004 atm-m3/mole  (7.900E+001 Pa-m3/mole)
      VP:   0.398 mm Hg (source: MPBPVP)
      WS:   104 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.33  (KowWin est)
  Log Kaw used:  -2.090  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.420
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7894
   Biowin2 (Non-Linear Model)     :   0.9011
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1341  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8720  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5761
   Biowin6 (MITI Non-Linear Model):   0.6706
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0818
 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):  48.9 Pa (0.367 mm Hg)
  Log Koa (Koawin est  ): 5.420
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.13E-008 
       Octanol/air (Koa) model:  6.46E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.21E-006 
       Mackay model           :  4.9E-006 
       Octanol/air (Koa) model:  5.17E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  86.5532 E-12 cm3/molecule-sec
      Half-Life =     0.124 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.483 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):
      3.56E-006 (Junge-Pankow, Mackay avg)
      5.17E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  155.3  L/kg (MCI method)
      Log Koc:  2.191       (MCI method)
      Koc    :  917.5  L/kg (Kow method)
      Log Koc:  2.963       (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 = 1.866 (BCF = 73.41 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.1234 days (HL = 0.7526 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.120 (BCF = 131.9)
   Log BAF Arnot-Gobas method (upper trophic) = 2.120 (BAF = 132)
       log Kow used: 3.33 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000338 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      3.419  hours
    Half-Life from Model Lake :      141.4  hours   (5.893 days)
 
 Removal In Wastewater Treatment:
    Total removal:              21.35  percent
    Total biodegradation:        0.14  percent
    Total sludge adsorption:     8.92  percent
    Total to Air:               12.29  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.384           1.65         1000       
   Water     24.6            360          1000       
   Soil      74.8            720          1000       
   Sediment  0.195           3.24e+003    0          
     Persistence Time: 323 hr