CAS Num: 000112-62-9
SMILES : O=C(OC)CCCCCCCC=CCCCCCCCC
CHEM   : 9-Octadecenoic acid (Z)-, methyl ester
MOL FOR: C19 H36 O2 
MOL WT : 296.50
------------------------------ 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) =  8.02
    Log Kow (Exper. database match) =  7.45
       Exper. Ref:  KROP,HB ET AL. (1997)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  352.56  (Adapted Stein & Brown method)
    Melting Pt (deg C):  80.09  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000115  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0153  (Modified Grain method)
    MP  (exp database):  -19.9 deg C
    BP  (exp database):  218.5 @ 20 mm Hg deg C
    VP  (exp database):  6.29E-06 mm Hg (8.39E-004 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.005588
       log Kow used: 7.45 (expkow database)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0025525 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.44E-002  atm-m3/mole  (1.45E+003 Pa-m3/mole)
   Group Method:   7.73E-003  atm-m3/mole  (7.84E+002 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:  8.029E-003 atm-m3/mole  (8.135E+002 Pa-m3/mole)
      VP:   0.000115 mm Hg (source: MPBPVP)
      WS:   0.00559 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.45  (exp database)
  Log Kaw used:  -0.230  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.680
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8890
   Biowin2 (Non-Linear Model)     :   0.9912
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9825  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9180  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8788
   Biowin6 (MITI Non-Linear Model):   0.9256
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7479
 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):  0.000839 Pa (6.29E-006 mm Hg)
  Log Koa (Koawin est  ): 7.680
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00358 
       Octanol/air (Koa) model:  1.17E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.114 
       Mackay model           :  0.222 
       Octanol/air (Koa) model:  0.000939 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  74.7180 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  82.3180 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.718 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.559 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):
      0.168 (Junge-Pankow, Mackay avg)
      0.000939 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  4.747E+004  L/kg (MCI method)
      Log Koc:  4.676       (MCI method)
      Koc    :  9.557E+004  L/kg (Kow method)
      Log Koc:  4.980       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  3.016E-002  L/mol-sec
  Kb Half-Life at pH 8:     266.000  days   
  Kb Half-Life at pH 7:       7.283  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 3.307 (BCF = 2028 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.2924 days (HL = 1.961 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.071 (BCF = 117.8)
   Log BAF Arnot-Gobas method (upper trophic) = 2.700 (BAF = 500.6)
       log Kow used: 7.45 (expkow database)

 Volatilization from Water:
    Henry LC:  0.00773 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.888  hours
    Half-Life from Model Lake :        165  hours   (6.874 days)

 Removal In Wastewater Treatment:
    Total removal:              94.00  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.02  percent
    Total to Air:                0.21  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.168           1.31         1000       
   Water     17.7            360          1000       
   Soil      72.1            720          1000       
   Sediment  10.1            3.24e+003    0          
     Persistence Time: 467 hr