CAS Num: 008016-84-0
SMILES : CC(C)CC(=O)C=C(C)C=C
CHEM   : Oils, Tagetes
MOL FOR: C10 H16 O1 
MOL WT : 152.24
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  3.12

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  191.95  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -29.08  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.757  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  101  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  159.8
       log Kow used: 3.12 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  87.106 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 :   1.21E-004  atm-m3/mole  (1.23E+001 Pa-m3/mole)
   Group Method:   1.77E-005  atm-m3/mole  (1.80E+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:  9.489E-004 atm-m3/mole  (9.615E+001 Pa-m3/mole)
      VP:   0.757 mm Hg (source: MPBPVP)
      WS:   160 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.12  (KowWin est)
  Log Kaw used:  -2.306  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.426
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6819
   Biowin2 (Non-Linear Model)     :   0.5972
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8403  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6059  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4017
   Biowin6 (MITI Non-Linear Model):   0.3696
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2285
 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):  92.4 Pa (0.693 mm Hg)
  Log Koa (Koawin est  ): 5.426
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.25E-008 
       Octanol/air (Koa) model:  6.55E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.17E-006 
       Mackay model           :  2.6E-006 
       Octanol/air (Koa) model:  5.24E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 136.6982 E-12 cm3/molecule-sec
      Half-Life =     0.078 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.939 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     5.265000 E-17 cm3/molecule-sec
      Half-Life =     0.218 Days (at 7E11 mol/cm3)
      Half-Life =      5.224 Hrs
   Fraction sorbed to airborne particulates (phi):
      1.89E-006 (Junge-Pankow, Mackay avg)
      5.24E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  128  L/kg (MCI method)
      Log Koc:  2.107       (MCI method)
      Koc    :  702.2  L/kg (Kow method)
      Log Koc:  2.846       (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 = 1.727 (BCF = 53.37 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.1842 days (HL = 0.6544 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.966 (BCF = 92.44)
   Log BAF Arnot-Gobas method (upper trophic) = 1.966 (BAF = 92.45)
       log Kow used: 3.12 (estimated)

 Volatilization from Water:
    Henry LC:  1.77E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      42.07  hours   (1.753 days)
    Half-Life from Model Lake :      562.4  hours   (23.43 days)

 Removal In Wastewater Treatment:
    Total removal:               7.73  percent
    Total biodegradation:        0.13  percent
    Total sludge adsorption:     6.68  percent
    Total to Air:                0.92  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.166           1.38         1000       
   Water     27              360          1000       
   Soil      72.7            720          1000       
   Sediment  0.186           3.24e+003    0          
     Persistence Time: 428 hr