CAS Number: 68973-20-6
SMILES : O=C(C=CC=CCCCCC)C
CHEM   : 3,5-Undecadien-2-one
MOL FOR: C11 H18 O1 
MOL WT : 166.27
------------------------------ EPI SUMMARY (v4.00) --------------------------
 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 v1.67 estimate) =  3.55
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  235.43  (Adapted Stein & Brown method)
    Melting Pt (deg C):  2.07  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.092  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  12.3  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  59.24
       log Kow used: 3.55 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  21.446 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 :   1.61E-004  atm-m3/mole  (1.63E+001 Pa-m3/mole)
   Group Method:   2.81E-005  atm-m3/mole  (2.85E+000 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:  3.398E-004 atm-m3/mole  (3.443E+001 Pa-m3/mole)
      VP:   0.092 mm Hg (source: MPBPVP)
      WS:   59.2 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.55  (KowWin est)
  Log Kaw used:  -2.182  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.732
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7837
   Biowin2 (Non-Linear Model)     :   0.8848
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1076  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8547  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5585
   Biowin6 (MITI Non-Linear Model):   0.6059
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2228
 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):  11.7 Pa (0.0877 mm Hg)
  Log Koa (Koawin est  ): 5.732
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.57E-007 
       Octanol/air (Koa) model:  1.32E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  9.27E-006 
       Mackay model           :  2.05E-005 
       Octanol/air (Koa) model:  1.06E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 133.1930 E-12 cm3/molecule-sec
      Half-Life =     0.080 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.964 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    14.215500 E-17 cm3/molecule-sec
      Half-Life =     0.081 Days (at 7E11 mol/cm3)
      Half-Life =      1.935 Hrs
   Fraction sorbed to airborne particulates (phi):
      1.49E-005 (Junge-Pankow, Mackay avg)
      1.06E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  301.1  L/kg (MCI method)
      Log Koc:  2.479       (MCI method)
      Koc    :  1214  L/kg (Kow method)
      Log Koc:  3.084       (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 v3.00):
   Log BCF from regression-based method = 2.011 (BCF = 102.5 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.0352 days (HL = 0.9221 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.281 (BCF = 191)
   Log BAF Arnot-Gobas method (upper trophic) = 2.281 (BAF = 191)
       log Kow used: 3.55 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.81E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      28.18  hours   (1.174 days)
    Half-Life from Model Lake :      415.6  hours   (17.32 days)
 
 Removal In Wastewater Treatment:
    Total removal:              15.44  percent
    Total biodegradation:        0.19  percent
    Total sludge adsorption:    13.93  percent
    Total to Air:                1.32  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.116           0.966        1000       
   Water     24.7            360          1000       
   Soil      74.9            720          1000       
   Sediment  0.323           3.24e+003    0          
     Persistence Time: 438 hr