CAS Num: 067663-01-8
SMILES : O=C(OC(C1C)CCCCCC)C1
CHEM   : 2(3H)-Furanone, 5-hexyldihydro-4-methyl-
MOL FOR: C11 H20 O2 
MOL WT : 184.28
------------------------------ 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) =  2.98

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  292.69  (Adapted Stein & Brown method)
    Melting Pt (deg C):  26.92  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00276  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.368  (Modified Grain method)
    Subcooled liquid VP: 0.00287 mm Hg (25 deg C, Mod-Grain method)
                       : 0.383 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  148.2
       log Kow used: 2.98 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  23.71 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.46E-004  atm-m3/mole  (7.56E+001 Pa-m3/mole)
   Group Method:   4.06E-004  atm-m3/mole  (4.11E+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:  4.516E-006 atm-m3/mole  (4.576E-001 Pa-m3/mole)
      VP:   0.00276 mm Hg (source: MPBPVP)
      WS:   148 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.98  (KowWin est)
  Log Kaw used:  -1.516  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.496
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9424
   Biowin2 (Non-Linear Model)     :   0.9982
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2305  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0799  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8002
   Biowin6 (MITI Non-Linear Model):   0.8601
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6199
 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):  0.383 Pa (0.00287 mm Hg)
  Log Koa (Koawin est  ): 4.496
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.84E-006 
       Octanol/air (Koa) model:  7.69E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000283 
       Mackay model           :  0.000627 
       Octanol/air (Koa) model:  6.15E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  12.2474 E-12 cm3/molecule-sec
      Half-Life =     0.873 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    10.480 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000455 (Junge-Pankow, Mackay avg)
      6.15E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  358  L/kg (MCI method)
      Log Koc:  2.554       (MCI method)
      Koc    :  322  L/kg (Kow method)
      Log Koc:  2.508       (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 = 1.636 (BCF = 43.29 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.0861 days (HL = 0.08202 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.401 (BCF = 25.19)
   Log BAF Arnot-Gobas method (upper trophic) = 1.401 (BAF = 25.19)
       log Kow used: 2.98 (estimated)

 Volatilization from Water:
    Henry LC:  0.000406 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      3.343  hours
    Half-Life from Model Lake :      150.3  hours   (6.262 days)

 Removal In Wastewater Treatment:
    Total removal:              19.88  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:     4.93  percent
    Total to Air:               14.84  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.15            21           1000       
   Water     20.6            360          1000       
   Soil      75.9            720          1000       
   Sediment  0.309           3.24e+003    0          
     Persistence Time: 372 hr