CAS Num: 016400-72-9
SMILES : O=C1OC(CCCCCCC)CC=C1
CHEM   : 2H-Pyran-2-one, 6-heptyl-5,6-dihydro-
MOL FOR: C12 H20 O2 
MOL WT : 196.29
------------------------------ 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) =  3.33

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  314.54  (Adapted Stein & Brown method)
    Melting Pt (deg C):  19.46  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000898  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.12  (Modified Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  64.91
       log Kow used: 3.33 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  9.6811 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Acrylates

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.64E-004  atm-m3/mole  (4.70E+001 Pa-m3/mole)
   Group Method:   1.12E-004  atm-m3/mole  (1.13E+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:  3.573E-006 atm-m3/mole  (3.620E-001 Pa-m3/mole)
      VP:   0.000898 mm Hg (source: MPBPVP)
      WS:   64.9 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:  -1.722  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.052
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9367
   Biowin2 (Non-Linear Model)     :   0.9979
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2039  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0626  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8134
   Biowin6 (MITI Non-Linear Model):   0.8875
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5390
 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):  0.12 Pa (0.000898 mm Hg)
  Log Koa (Koawin est  ): 5.052
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.51E-005 
       Octanol/air (Koa) model:  2.77E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000904 
       Mackay model           :  0.002 
       Octanol/air (Koa) model:  2.21E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  25.5062 E-12 cm3/molecule-sec
      Half-Life =     0.419 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     5.032 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.137500 E-17 cm3/molecule-sec
      Half-Life =     1.007 Days (at 7E11 mol/cm3)
      Half-Life =     24.179 Hrs
   Fraction sorbed to airborne particulates (phi):
      0.00145 (Junge-Pankow, Mackay avg)
      2.21E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  726.2  L/kg (MCI method)
      Log Koc:  2.861       (MCI method)
      Koc    :  502.8  L/kg (Kow method)
      Log Koc:  2.701       (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 = 1.867 (BCF = 73.63 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.0453 days (HL = 0.0901 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.514 (BCF = 32.64)
   Log BAF Arnot-Gobas method (upper trophic) = 1.514 (BAF = 32.64)
       log Kow used: 3.33 (estimated)

 Volatilization from Water:
    Henry LC:  0.000112 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      8.754  hours
    Half-Life from Model Lake :        213  hours   (8.874 days)

 Removal In Wastewater Treatment:
    Total removal:              14.38  percent
    Total biodegradation:        0.15  percent
    Total sludge adsorption:     9.29  percent
    Total to Air:                4.94  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.894           7.1          1000       
   Water     21.3            360          1000       
   Soil      77.3            720          1000       
   Sediment  0.571           3.24e+003    0          
     Persistence Time: 429 hr