CAS Num: 000111-03-5
SMILES : O=C(OCC(O)CO)CCCCCCCC=CCCCCCCCC
CHEM   : 9-Octadecenoic acid (Z)-, 2,3-dihydroxypropyl ester
MOL FOR: C21 H40 O4 
MOL WT : 356.55
------------------------------ 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) =  6.40

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  451.93  (Adapted Stein & Brown method)
    Melting Pt (deg C):  165.87  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.59E-009  (Modified Grain method)
    VP (Pa, 25 deg C) :  2.12E-007  (Modified Grain method)
    MP  (exp database):  35 deg C
    Subcooled liquid VP: 1.95E-009 mm Hg (25 deg C, Mod-Grain method)
                       : 2.6E-007 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.01931
       log Kow used: 6.40 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.25601 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.38E-008  atm-m3/mole  (3.43E-003 Pa-m3/mole)
   Group Method:   3.22E-012  atm-m3/mole  (3.27E-007 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:  3.863E-008 atm-m3/mole  (3.914E-003 Pa-m3/mole)
      VP:   1.59E-009 mm Hg (source: MPBPVP)
      WS:   0.0193 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.40  (KowWin est)
  Log Kaw used:  -5.860  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  12.260
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.1779
   Biowin2 (Non-Linear Model)     :   0.9978
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1697  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0903  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.0702
   Biowin6 (MITI Non-Linear Model):   0.9717
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.9791
 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):  2.6E-007 Pa (1.95E-009 mm Hg)
  Log Koa (Koawin est  ): 12.260
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  11.5 
       Octanol/air (Koa) model:  0.447 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.998 
       Mackay model           :  0.999 
       Octanol/air (Koa) model:  0.973 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  90.9119 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  98.5119 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.412 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.303 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):
      0.998 (Junge-Pankow, Mackay avg)
      0.973 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1066  L/kg (MCI method)
      Log Koc:  3.028       (MCI method)
      Koc    :  3773  L/kg (Kow method)
      Log Koc:  3.577       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  2.848E-002  L/mol-sec
  Kb Half-Life at pH 8:     281.632  days   
  Kb Half-Life at pH 7:       7.711  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.516 (BCF = 328.3 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.6950 days (HL = 0.2018 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.754 (BCF = 56.78)
   Log BAF Arnot-Gobas method (upper trophic) = 1.756 (BAF = 57.07)
       log Kow used: 6.40 (estimated)

 Volatilization from Water:
    Henry LC:  3.38E-008 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 3.271E+004  hours   (1363 days)
    Half-Life from Model Lake :  3.57E+005  hours   (1.487E+004 days)

 Removal In Wastewater Treatment:
    Total removal:              93.28  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    92.51  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.113           1.21         1000       
   Water     24.1            360          1000       
   Soil      75              720          1000       
   Sediment  0.801           3.24e+003    0          
     Persistence Time: 478 hr