CAS Number: 72939-63-0
SMILES : O=C(OCC=C)C#CCCCCCC
CHEM   : 2-Nonynoic acid, 2-propenyl ester
MOL FOR: C12 H18 O2 
MOL WT : 194.28
------------------------------ 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) =  3.94
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  258.98  (Adapted Stein & Brown method)
    Melting Pt (deg C):  57.87  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0083  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.11  (Modified Grain method)
    Subcooled liquid VP: 0.0167 mm Hg (25 deg C, Mod-Grain method)
                       : 2.23 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  20.15
       log Kow used: 3.94 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  14.476 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.76E-004  atm-m3/mole  (1.78E+001 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  1.053E-004 atm-m3/mole  (1.067E+001 Pa-m3/mole)
      VP:   0.0083 mm Hg (source: MPBPVP)
      WS:   20.1 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.94  (KowWin est)
  Log Kaw used:  -2.143  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.083
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9377
   Biowin2 (Non-Linear Model)     :   0.9979
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2084  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0655  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7934
   Biowin6 (MITI Non-Linear Model):   0.8855
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5460
 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):  2.23 Pa (0.0167 mm Hg)
  Log Koa (Koawin est  ): 6.083
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.35E-006 
       Octanol/air (Koa) model:  2.97E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.87E-005 
       Mackay model           :  0.000108 
       Octanol/air (Koa) model:  2.38E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  43.9485 E-12 cm3/molecule-sec
      Half-Life =     0.243 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.921 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.203000 E-17 cm3/molecule-sec
      Half-Life =     0.953 Days (at 7E11 mol/cm3)
      Half-Life =     22.863 Hrs
   Fraction sorbed to airborne particulates (phi):
      7.82E-005 (Junge-Pankow, Mackay avg)
      2.38E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  711  L/kg (MCI method)
      Log Koc:  2.852       (MCI method)
      Koc    :  1094  L/kg (Kow method)
      Log Koc:  3.039       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.366E+000  L/mol-sec
  Kb Half-Life at pH 8:       5.872  days   
  Kb Half-Life at pH 7:      58.719  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.267 (BCF = 185.1 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.8636 days (HL = 0.1369 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.742 (BCF = 55.25)
   Log BAF Arnot-Gobas method (upper trophic) = 1.742 (BAF = 55.25)
       log Kow used: 3.94 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000176 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      6.059  hours
    Half-Life from Model Lake :        183  hours   (7.624 days)
 
 Removal In Wastewater Treatment:
    Total removal:              32.32  percent
    Total biodegradation:        0.28  percent
    Total sludge adsorption:    26.26  percent
    Total to Air:                5.77  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.658           4.65         1000       
   Water     20.4            360          1000       
   Soil      78.4            720          1000       
   Sediment  0.539           3.24e+003    0          
     Persistence Time: 417 hr