CAS Num: 010352-88-2
SMILES : OC(=O)C=CCCCC
CHEM   : 
MOL FOR: C7 H12 O2 
MOL WT : 128.17
------------------------------ 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) =  2.33

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  232.56  (Adapted Stein & Brown method)
    Melting Pt (deg C):  36.57  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0937  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  12.5  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -19 deg C
    BP  (exp database):  226.5 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2389
       log Kow used: 2.33 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1445.8 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.06E-006  atm-m3/mole  (1.07E-001 Pa-m3/mole)
   Group Method:   3.88E-007  atm-m3/mole  (3.93E-002 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:  6.614E-006 atm-m3/mole  (6.702E-001 Pa-m3/mole)
      VP:   0.0937 mm Hg (source: MPBPVP)
      WS:   2.39E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.33  (KowWin est)
  Log Kaw used:  -4.363  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.693
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8676
   Biowin2 (Non-Linear Model)     :   0.9753
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.5789  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.3175  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6730
   Biowin6 (MITI Non-Linear Model):   0.7900
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5565
 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 (0.088 mm Hg)
  Log Koa (Koawin est  ): 6.693
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.56E-007 
       Octanol/air (Koa) model:  1.21E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  9.24E-006 
       Mackay model           :  2.05E-005 
       Octanol/air (Koa) model:  9.68E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  24.1380 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  26.7980 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    5.317 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    4.790 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.568750 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     1.137500 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     2.015 Days (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     1.007 Days (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi):
      1.48E-005 (Junge-Pankow, Mackay avg)
      9.68E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  15.88  L/kg (MCI method)
      Log Koc:  1.201       (MCI method)
      Koc    :  27.83  L/kg (Kow method)
      Log Koc:  1.445       (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.2207 days (HL = 0.6016 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.322 (BCF = 21)
   Log BAF Arnot-Gobas method (upper trophic) = 1.322 (BAF = 21)
       log Kow used: 2.33 (estimated)

 Volatilization from Water:
    Henry LC:  3.88E-007 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       1709  hours   (71.23 days)
    Half-Life from Model Lake : 1.874E+004  hours   (781 days)

 Removal In Wastewater Treatment:
    Total removal:               2.72  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.60  percent
    Total to Air:                0.02  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.34            8.72         1000       
   Water     34.7            208          1000       
   Soil      63.8            416          1000       
   Sediment  0.0806          1.87e+003    0          
     Persistence Time: 265 hr