CAS Num: 024237-02-3
SMILES : O(C(CC(C1)=C)CCCC)C1C
CHEM   : 2H-Pyran, 2-butyltetrahydro-6-methyl-4-methylene-
MOL FOR: C11 H20 O1 
MOL WT : 168.28
------------------------------ 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) =  4.15

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  209.16  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -3.79  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.334  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  44.5  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  18
       log Kow used: 4.15 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  85.912 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.28E-003  atm-m3/mole  (4.34E+002 Pa-m3/mole)
   Group Method:   1.28E-003  atm-m3/mole  (1.30E+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:  4.109E-003 atm-m3/mole  (4.163E+002 Pa-m3/mole)
      VP:   0.334 mm Hg (source: MPBPVP)
      WS:   18 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.15  (KowWin est)
  Log Kaw used:  -0.757  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.907
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4285
   Biowin2 (Non-Linear Model)     :   0.2756
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1170  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8643  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4388
   Biowin6 (MITI Non-Linear Model):   0.3013
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1282
 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):  41.2 Pa (0.309 mm Hg)
  Log Koa (Koawin est  ): 4.907
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.28E-008 
       Octanol/air (Koa) model:  1.98E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.63E-006 
       Mackay model           :  5.83E-006 
       Octanol/air (Koa) model:  1.59E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  90.4666 E-12 cm3/molecule-sec
      Half-Life =     0.118 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.419 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.200000 E-17 cm3/molecule-sec
      Half-Life =     0.955 Days (at 7E11 mol/cm3)
      Half-Life =     22.920 Hrs
   Fraction sorbed to airborne particulates (phi):
      4.23E-006 (Junge-Pankow, Mackay avg)
      1.59E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  512.6  L/kg (MCI method)
      Log Koc:  2.710       (MCI method)
      Koc    :  1349  L/kg (Kow method)
      Log Koc:  3.130       (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 = 2.403 (BCF = 253.2 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.2951 days (HL = 1.973 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.723 (BCF = 528.6)
   Log BAF Arnot-Gobas method (upper trophic) = 2.724 (BAF = 530.1)
       log Kow used: 4.15 (estimated)

 Volatilization from Water:
    Henry LC:  0.00128 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.917  hours
    Half-Life from Model Lake :      129.7  hours   (5.404 days)

 Removal In Wastewater Treatment:
    Total removal:              55.31  percent
    Total biodegradation:        0.29  percent
    Total sludge adsorption:    32.47  percent
    Total to Air:               22.55  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.653           2.52         1000       
   Water     21.8            360          1000       
   Soil      77.1            720          1000       
   Sediment  0.437           3.24e+003    0          
     Persistence Time: 309 hr