CAS Num: 007757-96-2
SMILES : O=C1OC(=O)C(C=CCCCCCC)C1
CHEM   : 
MOL FOR: C12 H18 O3 
MOL WT : 210.28
------------------------------ 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) =  4.45

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  300.23  (Adapted Stein & Brown method)
    Melting Pt (deg C):  9.67  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00193  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.257  (Modified Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  6.127
       log Kow used: 4.45 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  134.45 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.33E-004  atm-m3/mole  (1.35E+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:  8.716E-005 atm-m3/mole  (8.831E+000 Pa-m3/mole)
      VP:   0.00193 mm Hg (source: MPBPVP)
      WS:   6.13 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.45  (KowWin est)
  Log Kaw used:  -2.265  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.715
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7559
   Biowin2 (Non-Linear Model)     :   0.8661
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0328  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8134  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3786
   Biowin6 (MITI Non-Linear Model):   0.2290
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3411
 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):  0.257 Pa (0.00193 mm Hg)
  Log Koa (Koawin est  ): 6.715
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.17E-005 
       Octanol/air (Koa) model:  1.27E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000421 
       Mackay model           :  0.000932 
       Octanol/air (Koa) model:  0.000102 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  63.8054 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  71.4054 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    2.012 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.798 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):
      0.000676 (Junge-Pankow, Mackay avg)
      0.000102 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  14.55  L/kg (MCI method)
      Log Koc:  1.163       (MCI method)
      Koc    :  847.2  L/kg (Kow method)
      Log Koc:  2.928       (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 = 2.603 (BCF = 401.3 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.0017 days (HL = 0.996 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.564 (BCF = 366.8)
   Log BAF Arnot-Gobas method (upper trophic) = 2.565 (BAF = 367.4)
       log Kow used: 4.45 (estimated)

 Volatilization from Water:
    Henry LC:  0.000133 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      7.863  hours
    Half-Life from Model Lake :      207.4  hours   (8.641 days)

 Removal In Wastewater Treatment:
    Total removal:              55.25  percent
    Total biodegradation:        0.49  percent
    Total sludge adsorption:    51.96  percent
    Total to Air:                2.81  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.435           1.39         1000       
   Water     40.8            360          1000       
   Soil      58.7            720          1000       
   Sediment  0.0994          3.24e+003    0          
     Persistence Time: 252 hr