CAS Number: 67674-40-2
SMILES : O=COCC=CCCC=CCC
CHEM   : 2,6-Nonadien-1-ol, formate, (E,Z)-
MOL FOR: C10 H16 O2 
MOL WT : 168.24
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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) =  3.32
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  224.23  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -2.45  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.105  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  14.1  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  90.77
       log Kow used: 3.32 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  132.78 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.79E-003  atm-m3/mole  (1.82E+002 Pa-m3/mole)
   Group Method:   4.88E-004  atm-m3/mole  (4.95E+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:  2.561E-004 atm-m3/mole  (2.595E+001 Pa-m3/mole)
      VP:   0.105 mm Hg (source: MPBPVP)
      WS:   90.8 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.32  (KowWin est)
  Log Kaw used:  -1.136  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.456
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9501
   Biowin2 (Non-Linear Model)     :   0.9986
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2659  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.1030  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7782
   Biowin6 (MITI Non-Linear Model):   0.8772
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4205
 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):  13.1 Pa (0.0986 mm Hg)
  Log Koa (Koawin est  ): 4.456
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.28E-007 
       Octanol/air (Koa) model:  7.01E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.24E-006 
       Mackay model           :  1.83E-005 
       Octanol/air (Koa) model:  5.61E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 117.6933 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 132.8933 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.091 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    0.966 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):
      1.32E-005 (Junge-Pankow, Mackay avg)
      5.61E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  243.2  L/kg (MCI method)
      Log Koc:  2.386       (MCI method)
      Koc    :  496.5  L/kg (Kow method)
      Log Koc:  2.696       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  4.253E+001  L/mol-sec
  Kb Half-Life at pH 8:       4.527  hours  
  Kb Half-Life at pH 7:       1.886  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.861 (BCF = 72.54 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.9359 days (HL = 0.1159 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.602 (BCF = 39.99)
   Log BAF Arnot-Gobas method (upper trophic) = 1.602 (BAF = 39.99)
       log Kow used: 3.32 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000488 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       2.88  hours
    Half-Life from Model Lake :      140.2  hours   (5.841 days)
 
 Removal In Wastewater Treatment:
    Total removal:              25.01  percent
    Total biodegradation:        0.13  percent
    Total sludge adsorption:     8.57  percent
    Total to Air:               16.30  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.222           0.712        1000       
   Water     25.6            208          1000       
   Soil      73.9            416          1000       
   Sediment  0.226           1.87e+003    0          
     Persistence Time: 221 hr