CAS Num: 000111-28-4
SMILES : OCC=CC=CC
CHEM   : 2,4-Hexadien-1-ol
MOL FOR: C6 H10 O1 
MOL WT : 98.15
------------------------------ 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) =  1.39

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  172.28  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -39.09  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.302  (Modified Grain method)
    VP (Pa, 25 deg C) :  40.2  (Modified Grain method)
    MP  (exp database):  30.5 deg C
    Subcooled liquid VP: 0.338 mm Hg (25 deg C, Mod-Grain method)
                       : 45 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.475e+004
       log Kow used: 1.39 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  33545 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.11E-005  atm-m3/mole  (1.12E+000 Pa-m3/mole)
   Group Method:   2.13E-006  atm-m3/mole  (2.16E-001 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:  1.576E-006 atm-m3/mole  (1.597E-001 Pa-m3/mole)
      VP:   0.302 mm Hg (source: MPBPVP)
      WS:   2.48E+004 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.39  (KowWin est)
  Log Kaw used:  -3.343  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.733
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9680
   Biowin2 (Non-Linear Model)     :   0.9898
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.4406  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.1047  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6559
   Biowin6 (MITI Non-Linear Model):   0.7789
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3034
 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):  45.1 Pa (0.338 mm Hg)
  Log Koa (Koawin est  ): 4.733
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.66E-008 
       Octanol/air (Koa) model:  1.33E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.4E-006 
       Mackay model           :  5.33E-006 
       Octanol/air (Koa) model:  1.06E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 145.5450 E-12 cm3/molecule-sec
      Half-Life =     0.073 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.882 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):
      3.86E-006 (Junge-Pankow, Mackay avg)
      1.06E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  11.53  L/kg (MCI method)
      Log Koc:  1.062       (MCI method)
      Koc    :  19.16  L/kg (Kow method)
      Log Koc:  1.283       (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 = 0.586 (BCF = 3.857 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.7233 days (HL = 0.1891 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.500 (BCF = 3.164)
   Log BAF Arnot-Gobas method (upper trophic) = 0.500 (BAF = 3.164)
       log Kow used: 1.39 (estimated)

 Volatilization from Water:
    Henry LC:  1.11E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      53.27  hours   (2.219 days)
    Half-Life from Model Lake :      664.2  hours   (27.67 days)

 Removal In Wastewater Treatment:
    Total removal:               2.55  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.84  percent
    Total to Air:                0.62  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.128           0.578        1000       
   Water     37.7            208          1000       
   Soil      62.1            416          1000       
   Sediment  0.0815          1.87e+003    0          
     Persistence Time: 237 hr