CAS Num: 022418-66-2
SMILES : O=CC(C(CCC=C(C)C)C)=C
CHEM   : 6-Octenal, 3,7-dimethyl-2-methylene-
MOL FOR: C11 H18 O1 
MOL WT : 166.27
------------------------------ 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) =  3.94

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  217.71  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -26.86  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.147  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  19.6  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  27.56
       log Kow used: 3.94 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  273.68 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Vinyl/Allyl Aldehydes

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.23E-004  atm-m3/mole  (4.29E+001 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  1.167E-003 atm-m3/mole  (1.182E+002 Pa-m3/mole)
      VP:   0.147 mm Hg (source: MPBPVP)
      WS:   27.6 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.94  (KowWin est)
  Log Kaw used:  -1.762  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.702
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9530
   Biowin2 (Non-Linear Model)     :   0.9996
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8541  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8045  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6969
   Biowin6 (MITI Non-Linear Model):   0.7978
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3855
 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):  18.3 Pa (0.137 mm Hg)
  Log Koa (Koawin est  ): 5.702
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.64E-007 
       Octanol/air (Koa) model:  1.24E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.93E-006 
       Mackay model           :  1.31E-005 
       Octanol/air (Koa) model:  9.89E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 126.6413 E-12 cm3/molecule-sec
      Half-Life =     0.084 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.014 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    43.181999 E-17 cm3/molecule-sec
      Half-Life =     0.027 Days (at 7E11 mol/cm3)
      Half-Life =     38.216 Min
   Fraction sorbed to airborne particulates (phi):
      9.54E-006 (Junge-Pankow, Mackay avg)
      9.89E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  79.65  L/kg (MCI method)
      Log Koc:  1.901       (MCI method)
      Koc    :  750.2  L/kg (Kow method)
      Log Koc:  2.875       (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 = 2.268 (BCF = 185.2 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.3834 days (HL = 2.418 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.682 (BCF = 481.3)
   Log BAF Arnot-Gobas method (upper trophic) = 2.684 (BAF = 482.5)
       log Kow used: 3.94 (estimated)

 Volatilization from Water:
    Henry LC:  0.000423 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      3.101  hours
    Half-Life from Model Lake :      141.9  hours   (5.914 days)

 Removal In Wastewater Treatment:
    Total removal:              37.40  percent
    Total biodegradation:        0.27  percent
    Total sludge adsorption:    25.43  percent
    Total to Air:               11.70  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.162           0.485        1000       
   Water     30.5            360          1000       
   Soil      69.2            720          1000       
   Sediment  0.154           3.24e+003    0          
     Persistence Time: 257 hr