CAS Number: 74685-27-1
SMILES : C(C)=CC=CCCCCCCC
CHEM   : 2,4-DODECADIENE, (E,Z)-
MOL FOR: C12 H22 
MOL WT : 166.31
------------------------------ 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) =  5.80
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  217.64  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -22.45  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.221  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  29.5  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.2051
       log Kow used: 5.80 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.403 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.05E+000  atm-m3/mole  (1.06E+005 Pa-m3/mole)
   Group Method:   6.43E-001  atm-m3/mole  (6.52E+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:  2.358E-001 atm-m3/mole  (2.389E+004 Pa-m3/mole)
      VP:   0.221 mm Hg (source: MPBPVP)
      WS:   0.205 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.80  (KowWin est)
  Log Kaw used:  1.633  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.167
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8852
   Biowin2 (Non-Linear Model)     :   0.9871
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.4283  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.1459  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5394
   Biowin6 (MITI Non-Linear Model):   0.6117
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0967
 Ready Biodegradability Prediction:   YES
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.6679
     BioHC Half-Life (days)     :   4.6543
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  27.5 Pa (0.206 mm Hg)
  Log Koa (Koawin est  ): 4.167
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.09E-007 
       Octanol/air (Koa) model:  3.61E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.95E-006 
       Mackay model           :  8.74E-006 
       Octanol/air (Koa) model:  2.88E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 150.2531 E-12 cm3/molecule-sec
      Half-Life =     0.071 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.854 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    32.000000 E-17 cm3/molecule-sec
      Half-Life =     0.036 Days (at 7E11 mol/cm3)
      Half-Life =     51.570 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      6.34E-006 (Junge-Pankow, Mackay avg)
      2.88E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  4818  L/kg (MCI method)
      Log Koc:  3.683       (MCI method)
      Koc    :  1.08E+005  L/kg (Kow method)
      Log Koc:  5.033       (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 = 3.497 (BCF = 3140 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.9194 days (HL = 8.307 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.431 (BCF = 2696)
   Log BAF Arnot-Gobas method (upper trophic) = 3.871 (BAF = 7425)
       log Kow used: 5.80 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.643 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.317  hours
    Half-Life from Model Lake :      122.5  hours   (5.104 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.52  percent
    Total biodegradation:        0.20  percent
    Total sludge adsorption:    59.36  percent
    Total to Air:               39.96  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.907           0.572        1000       
   Water     71.7            208          1000       
   Soil      20.8            416          1000       
   Sediment  6.58            1.87e+003    0          
     Persistence Time: 68.7 hr