CAS Number: 24202-00-4
SMILES : CC(C)(CCCC(=C)C=C)OC
CHEM   : 
MOL FOR: C11 H20 O1 
MOL WT : 168.28
------------------------------ EPI SUMMARY (v4.11) --------------------------
 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) =  4.16
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  177.67  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -31.09  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.47  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  196  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  17.58
       log Kow used: 4.16 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  81.408 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.89E-003  atm-m3/mole  (5.97E+002 Pa-m3/mole)
   Group Method:   7.05E-004  atm-m3/mole  (7.15E+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:  1.851E-002 atm-m3/mole  (1.876E+003 Pa-m3/mole)
      VP:   1.47 mm Hg (source: MPBPVP)
      WS:   17.6 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.16  (KowWin est)
  Log Kaw used:  -0.618  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.778
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.1361
   Biowin2 (Non-Linear Model)     :   0.0106
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6065  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4418  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4610
   Biowin6 (MITI Non-Linear Model):   0.3656
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2838
 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):  179 Pa (1.34 mm Hg)
  Log Koa (Koawin est  ): 4.778
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.68E-008 
       Octanol/air (Koa) model:  1.47E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.06E-007 
       Mackay model           :  1.34E-006 
       Octanol/air (Koa) model:  1.18E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 113.3643 E-12 cm3/molecule-sec
      Half-Life =     0.094 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.132 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.400000 E-17 cm3/molecule-sec
      Half-Life =     0.819 Days (at 7E11 mol/cm3)
      Half-Life =     19.646 Hrs
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      9.75E-007 (Junge-Pankow, Mackay avg)
      1.18E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  401.1  L/kg (MCI method)
      Log Koc:  2.603       (MCI method)
      Koc    :  1366  L/kg (Kow method)
      Log Koc:  3.136       (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 = 2.411 (BCF = 257.8 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.2901 days (HL = 1.95 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.724 (BCF = 529.8)
   Log BAF Arnot-Gobas method (upper trophic) = 2.725 (BAF = 531.3)
       log Kow used: 4.16 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000705 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      2.401  hours
    Half-Life from Model Lake :        135  hours   (5.624 days)
 
 Removal In Wastewater Treatment:
    Total removal:              49.49  percent
    Total biodegradation:        0.32  percent
    Total sludge adsorption:    34.47  percent
    Total to Air:               14.70  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.323           2.03         1000       
   Water     16.6            900          1000       
   Soil      82.7            1.8e+003     1000       
   Sediment  0.371           8.1e+003     0          
     Persistence Time: 572 hr