CAS Num: 056805-23-3
SMILES : OCCC=CCC=CCC
CHEM   : 3,6-NONADIEN-1-OL, (E,Z)-
MOL FOR: C9 H16 O1 
MOL WT : 140.23
------------------------------ 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) =  2.87

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  231.61  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -4.87  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0105  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  1.4  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  963.8
       log Kow used: 2.87 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1173.6 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.19E-005  atm-m3/mole  (3.23E+000 Pa-m3/mole)
   Group Method:   3.79E-006  atm-m3/mole  (3.84E-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:  2.010E-006 atm-m3/mole  (2.037E-001 Pa-m3/mole)
      VP:   0.0105 mm Hg (source: MPBPVP)
      WS:   964 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.87  (KowWin est)
  Log Kaw used:  -2.885  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.755
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9479
   Biowin2 (Non-Linear Model)     :   0.9816
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.3476  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.0439  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6789
   Biowin6 (MITI Non-Linear Model):   0.7913
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3814
 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):  1.31 Pa (0.00982 mm Hg)
  Log Koa (Koawin est  ): 5.755
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.29E-006 
       Octanol/air (Koa) model:  1.4E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.28E-005 
       Mackay model           :  0.000183 
       Octanol/air (Koa) model:  1.12E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 120.1450 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 135.3450 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.068 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    0.948 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    26.000000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    40.000000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     1.058 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     0.688 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.000133 (Junge-Pankow, Mackay avg)
      1.12E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  69.77  L/kg (MCI method)
      Log Koc:  1.844       (MCI method)
      Koc    :  126.2  L/kg (Kow method)
      Log Koc:  2.101       (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 = 1.558 (BCF = 36.17 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.3059 days (HL = 0.4945 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.749 (BCF = 56.1)
   Log BAF Arnot-Gobas method (upper trophic) = 1.749 (BAF = 56.1)
       log Kow used: 2.87 (estimated)

 Volatilization from Water:
    Henry LC:  3.19E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      22.94  hours
    Half-Life from Model Lake :      349.6  hours   (14.57 days)

 Removal In Wastewater Treatment:
    Total removal:               6.34  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:     4.56  percent
    Total to Air:                1.66  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.147           0.708        1000       
   Water     30.2            208          1000       
   Soil      69.5            416          1000       
   Sediment  0.125           1.87e+003    0          
     Persistence Time: 255 hr