CAS Number: 19883-27-3
SMILES : CCCCCC=CC=CC=C
CHEM   : (3Z,5E)-undeca-1,3,5-triene
MOL FOR: C11 H18 
MOL WT : 150.27
------------------------------ 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) =  5.18
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  196.60  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -35.11  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.608  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  81.1  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.8331
       log Kow used: 5.18 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  4.5169 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.79E-001  atm-m3/mole  (4.85E+004 Pa-m3/mole)
   Group Method:   1.44E-001  atm-m3/mole  (1.46E+004 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:  1.443E-001 atm-m3/mole  (1.462E+004 Pa-m3/mole)
      VP:   0.608 mm Hg (source: MPBPVP)
      WS:   0.833 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.18  (KowWin est)
  Log Kaw used:  1.292  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.888
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7844
   Biowin2 (Non-Linear Model)     :   0.9381
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1654  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9000  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5065
   Biowin6 (MITI Non-Linear Model):   0.5311
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0281
 Ready Biodegradability Prediction:   YES
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.6120
     BioHC Half-Life (days)     :   4.0928
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  74.4 Pa (0.558 mm Hg)
  Log Koa (Koawin est  ): 3.888
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.03E-008 
       Octanol/air (Koa) model:  1.9E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.46E-006 
       Mackay model           :  3.23E-006 
       Octanol/air (Koa) model:  1.52E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 148.3460 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 =     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):
      2.34E-006 (Junge-Pankow, Mackay avg)
      1.52E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2644  L/kg (MCI method)
      Log Koc:  3.422       (MCI method)
      Koc    :  3.128E+004  L/kg (Kow method)
      Log Koc:  4.495       (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 = 3.083 (BCF = 1210 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.7366 days (HL = 5.453 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.269 (BCF = 1858)
   Log BAF Arnot-Gobas method (upper trophic) = 3.348 (BAF = 2230)
       log Kow used: 5.18 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.144 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.256  hours
    Half-Life from Model Lake :      116.5  hours   (4.854 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              98.78  percent
    Total biodegradation:        0.19  percent
    Total sludge adsorption:    53.49  percent
    Total to Air:               45.11  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.41            1.29         1000       
   Water     60.7            360          1000       
   Soil      32.8            720          1000       
   Sediment  5.1             3.24e+003    0          
     Persistence Time: 102 hr