CAS Number: 2153-66-4
SMILES : CC(=CC(C=C)C(=C)C)C
CHEM   : 3-ethenyl-2,5-dimethylhexa-1,4-diene
MOL FOR: C10 H16 
MOL WT : 136.24
------------------------------ EPI SUMMARY (v4.00) --------------------------
 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 v1.67 estimate) =  4.80
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  142.91  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -76.22  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.01  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  935  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.992
       log Kow used: 4.80 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  29.855 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.42E-001  atm-m3/mole  (6.50E+004 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:  6.308E-001 atm-m3/mole  (6.392E+004 Pa-m3/mole)
      VP:   7.01 mm Hg (source: MPBPVP)
      WS:   1.99 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.80  (KowWin est)
  Log Kaw used:  1.419  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.381
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6827
   Biowin2 (Non-Linear Model)     :   0.7454
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8981  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6512  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2945
   Biowin6 (MITI Non-Linear Model):   0.2179
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0096
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.4503
     BioHC Half-Life (days)     :   2.8202
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  863 Pa (6.47 mm Hg)
  Log Koa (Koawin est  ): 3.381
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.48E-009 
       Octanol/air (Koa) model:  5.9E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.26E-007 
       Mackay model           :  2.78E-007 
       Octanol/air (Koa) model:  4.72E-008 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 166.9480 E-12 cm3/molecule-sec
      Half-Life =     0.064 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.769 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    45.400002 E-17 cm3/molecule-sec
      Half-Life =     0.025 Days (at 7E11 mol/cm3)
      Half-Life =     36.349 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      2.02E-007 (Junge-Pankow, Mackay avg)
      4.72E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  965  L/kg (MCI method)
      Log Koc:  2.985       (MCI method)
      Koc    :  1.464E+004  L/kg (Kow method)
      Log Koc:  4.166       (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 = 2.836 (BCF = 686 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.7271 days (HL = 5.334 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.204 (BCF = 1601)
   Log BAF Arnot-Gobas method (upper trophic) = 3.239 (BAF = 1732)
       log Kow used: 4.80 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.642 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.192  hours
    Half-Life from Model Lake :      110.9  hours   (4.62 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.72  percent
    Total biodegradation:        0.13  percent
    Total sludge adsorption:    43.08  percent
    Total to Air:               56.51  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.751           0.435        1000       
   Water     90.8            360          1000       
   Soil      5.34            720          1000       
   Sediment  3.1             3.24e+003    0          
     Persistence Time: 67.7 hr