CAS Number: 33580-05-1
SMILES : CCC=CC=CC=C
CHEM   : (3E,5Z)-octa-1,3,5-triene
MOL FOR: C8 H12 
MOL WT : 108.18
------------------------------ 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) =  3.70
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  132.34  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -70.78  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  11.1  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  1.48E+003  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  22.01
       log Kow used: 3.70 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  132.8 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.05E-001  atm-m3/mole  (2.07E+004 Pa-m3/mole)
   Group Method:   5.11E-002  atm-m3/mole  (5.18E+003 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:  7.179E-002 atm-m3/mole  (7.274E+003 Pa-m3/mole)
      VP:   11.1 mm Hg (source: MPBPVP)
      WS:   22 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.70  (KowWin est)
  Log Kaw used:  0.923  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.777
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8045
   Biowin2 (Non-Linear Model)     :   0.9650
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2584  (days-weeks  )
   Biowin4 (Primary Survey Model) :   3.9607  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4834
   Biowin6 (MITI Non-Linear Model):   0.5128
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0499
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.4128
     BioHC Half-Life (days)     :   2.5871
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1.37E+003 Pa (10.3 mm Hg)
  Log Koa (Koawin est  ): 2.777
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.18E-009 
       Octanol/air (Koa) model:  1.47E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  7.89E-008 
       Mackay model           :  1.75E-007 
       Octanol/air (Koa) model:  1.18E-008 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 144.1563 E-12 cm3/molecule-sec
      Half-Life =     0.074 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.890 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     5.440000 E-17 cm3/molecule-sec
      Half-Life =     0.211 Days (at 7E11 mol/cm3)
      Half-Life =      5.056 Hrs
   Fraction sorbed to airborne particulates (phi):
      1.27E-007 (Junge-Pankow, Mackay avg)
      1.18E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  436.8  L/kg (MCI method)
      Log Koc:  2.640       (MCI method)
      Koc    :  1625  L/kg (Kow method)
      Log Koc:  3.211       (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 = 2.111 (BCF = 129.1 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.3192 days (HL = 2.085 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.520 (BCF = 331.4)
   Log BAF Arnot-Gobas method (upper trophic) = 2.521 (BAF = 331.8)
       log Kow used: 3.70 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.0511 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.073  hours
    Half-Life from Model Lake :      98.92  hours   (4.122 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              95.57  percent
    Total biodegradation:        0.05  percent
    Total sludge adsorption:    10.54  percent
    Total to Air:               84.97  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.1             1.32         1000       
   Water     72.6            208          1000       
   Soil      24.4            416          1000       
   Sediment  0.958           1.87e+003    0          
     Persistence Time: 67.4 hr