CAS Number: 94201-34-0
SMILES : CC(C)=CCCC(O)(C)CC(C)=C
CHEM   : 
MOL FOR: C12 H22 O1 
MOL WT : 182.31
------------------------------ EPI SUMMARY (v4.10) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  4.42
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  236.77  (Adapted Stein & Brown method)
    Melting Pt (deg C):  2.45  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00758  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  1.01  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  29.19
       log Kow used: 4.42 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  116.17 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.80E-005  atm-m3/mole  (8.91E+000 Pa-m3/mole)
   Group Method:   1.25E-005  atm-m3/mole  (1.27E+000 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:  6.229E-005 atm-m3/mole  (6.312E+000 Pa-m3/mole)
      VP:   0.00758 mm Hg (source: MPBPVP)
      WS:   29.2 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.42  (KowWin est)
  Log Kaw used:  -2.444  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.864
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4768
   Biowin2 (Non-Linear Model)     :   0.2136
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5842  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4313  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4058
   Biowin6 (MITI Non-Linear Model):   0.2918
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0410
 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):  0.955 Pa (0.00716 mm Hg)
  Log Koa (Koawin est  ): 6.864
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.14E-006 
       Octanol/air (Koa) model:  1.79E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000113 
       Mackay model           :  0.000251 
       Octanol/air (Koa) model:  0.000144 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 148.4283 E-12 cm3/molecule-sec
      Half-Life =     0.072 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.865 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    44.200001 E-17 cm3/molecule-sec
      Half-Life =     0.026 Days (at 7E11 mol/cm3)
      Half-Life =     37.336 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.000182 (Junge-Pankow, Mackay avg)
      0.000144 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  210.2  L/kg (MCI method)
      Log Koc:  2.323       (MCI method)
      Koc    :  908.8  L/kg (Kow method)
      Log Koc:  2.958       (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 v3.01):
   Log BCF from regression-based method = 2.583 (BCF = 382.9 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.4049 days (HL = 2.54 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.881 (BCF = 760.2)
   Log BAF Arnot-Gobas method (upper trophic) = 2.885 (BAF = 766.7)
       log Kow used: 4.42 (estimated)
 
 Volatilization from Water:
    Henry LC:  8.8E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      10.36  hours
    Half-Life from Model Lake :      226.2  hours   (9.427 days)
 
 Removal In Wastewater Treatment:
    Total removal:              53.14  percent
    Total biodegradation:        0.48  percent
    Total sludge adsorption:    50.63  percent
    Total to Air:                2.02  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0392          0.458        1000       
   Water     18.5            900          1000       
   Soil      81.2            1.8e+003     1000       
   Sediment  0.227           8.1e+003     0          
     Persistence Time: 808 hr