CAS Number: 69064-37-5
SMILES : CCCCCCCCCC=CCO
CHEM   : (E)-dodec-2-en-1-ol
MOL FOR: C12 H24 O1 
MOL WT : 184.32
------------------------------ 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) =  4.55
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  277.92  (Adapted Stein & Brown method)
    Melting Pt (deg C):  28.10  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000516  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0689  (Modified Grain method)
    Subcooled liquid VP: 0.00055 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0734 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  21.87
       log Kow used: 4.55 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  17.076 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 :   8.47E-005  atm-m3/mole  (8.59E+000 Pa-m3/mole)
   Group Method:   9.30E-005  atm-m3/mole  (9.42E+000 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:  5.722E-006 atm-m3/mole  (5.798E-001 Pa-m3/mole)
      VP:   0.000516 mm Hg (source: MPBPVP)
      WS:   21.9 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.55  (KowWin est)
  Log Kaw used:  -2.461  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.011
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9270
   Biowin2 (Non-Linear Model)     :   0.9662
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2501  (days-weeks  )
   Biowin4 (Primary Survey Model) :   3.9803  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7824
   Biowin6 (MITI Non-Linear Model):   0.8957
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6584
 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):  0.0733 Pa (0.00055 mm Hg)
  Log Koa (Koawin est  ): 7.011
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.09E-005 
       Octanol/air (Koa) model:  2.52E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00148 
       Mackay model           :  0.00326 
       Octanol/air (Koa) model:  0.000201 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  70.7522 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  78.3522 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.814 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.638 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    13.000000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    20.000000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     2.116 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     1.375 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.00237 (Junge-Pankow, Mackay avg)
      0.000201 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  422.3  L/kg (MCI method)
      Log Koc:  2.626       (MCI method)
      Koc    :  1073  L/kg (Kow method)
      Log Koc:  3.030       (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 = 1.298 (BCF = 19.86 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.0232 days (HL = 1.055 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.598 (BCF = 395.9)
   Log BAF Arnot-Gobas method (upper trophic) = 2.598 (BAF = 396.7)
       log Kow used: 4.55 (estimated)
 
 Volatilization from Water:
    Henry LC:  8.47E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      10.77  hours
    Half-Life from Model Lake :      231.3  hours   (9.639 days)
 
 Removal In Wastewater Treatment:
    Total removal:              59.65  percent
    Total biodegradation:        0.53  percent
    Total sludge adsorption:    57.48  percent
    Total to Air:                1.64  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.277           1.34         1000       
   Water     25.9            208          1000       
   Soil      73.5            416          1000       
   Sediment  0.333           1.87e+003    0          
     Persistence Time: 263 hr