CAS Number: 74016-19-6
SMILES : CCCCCCCCC=CC1CCCC1(=O)
CHEM   : 2-[(E)-dec-1-enyl]cyclopentan-1-one
MOL FOR: C15 H26 O1 
MOL WT : 222.37
------------------------------ 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) =  5.26
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  314.10  (Adapted Stein & Brown method)
    Melting Pt (deg C):  64.71  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000744  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0992  (Modified Grain method)
    Subcooled liquid VP: 0.00175 mm Hg (25 deg C, Mod-Grain method)
                       : 0.233 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.083
       log Kow used: 5.26 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.1005 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 :   5.76E-004  atm-m3/mole  (5.83E+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:  2.010E-004 atm-m3/mole  (2.037E+001 Pa-m3/mole)
      VP:   0.000744 mm Hg (source: MPBPVP)
      WS:   1.08 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.26  (KowWin est)
  Log Kaw used:  -1.628  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.888
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7569
   Biowin2 (Non-Linear Model)     :   0.7759
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9836  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7738  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5986
   Biowin6 (MITI Non-Linear Model):   0.6462
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2388
 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):  0.233 Pa (0.00175 mm Hg)
  Log Koa (Koawin est  ): 6.888
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.29E-005 
       Octanol/air (Koa) model:  1.9E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000464 
       Mackay model           :  0.00103 
       Octanol/air (Koa) model:  0.000152 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  73.3619 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  80.9619 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.750 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.585 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    13.000000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    20.000000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     2.116 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     1.375 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.000746 (Junge-Pankow, Mackay avg)
      0.000152 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  3623  L/kg (MCI method)
      Log Koc:  3.559       (MCI method)
      Koc    :  1.072E+004  L/kg (Kow method)
      Log Koc:  4.030       (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 = 1.761 (BCF = 57.74 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.2760 days (HL = 1.888 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.863 (BCF = 729.8)
   Log BAF Arnot-Gobas method (upper trophic) = 2.877 (BAF = 754)
       log Kow used: 5.26 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000576 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      3.037  hours
    Half-Life from Model Lake :      158.2  hours   (6.591 days)
 
 Removal In Wastewater Treatment:
    Total removal:              85.18  percent
    Total biodegradation:        0.69  percent
    Total sludge adsorption:    82.06  percent
    Total to Air:                2.42  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.209           1.32         1000       
   Water     17.2            360          1000       
   Soil      80.7            720          1000       
   Sediment  1.93            3.24e+003    0          
     Persistence Time: 416 hr