CAS Number: 2906-55-0
SMILES : O=C(OCCCCCCCCC=CCCCCCCCC)CCCCCCCCCCCCCCC
CHEM   : Hexadecanoic acid, 9-octadecenyl ester, (Z)-
MOL FOR: C34 H66 O2 
MOL WT : 506.90
------------------------------ 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) =  15.38
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  526.62  (Adapted Stein & Brown method)
    Melting Pt (deg C):  208.23  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.59E-011  (Modified Grain method)
    VP (Pa, 25 deg C) :  8.79E-009  (Modified Grain method)
    Subcooled liquid VP: 5.79E-009 mm Hg (25 deg C, Mod-Grain method)
                       : 7.71E-007 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  4.724e-011
       log Kow used: 15.38 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  5.069e-007 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.01E+000  atm-m3/mole  (1.02E+005 Pa-m3/mole)
   Group Method:   1.31E+000  atm-m3/mole  (1.33E+005 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:  9.304E-001 atm-m3/mole  (9.428E+004 Pa-m3/mole)
      VP:   6.59E-011 mm Hg (source: MPBPVP)
      WS:   4.72E-011 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  15.38  (KowWin est)
  Log Kaw used:  1.616  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  13.764
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8973
   Biowin2 (Non-Linear Model)     :   0.9728
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8159  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8835  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.9941
   Biowin6 (MITI Non-Linear Model):   0.9473
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8200
 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):  7.72E-007 Pa (5.79E-009 mm Hg)
  Log Koa (Koawin est  ): 13.764
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.89 
       Octanol/air (Koa) model:  14.3 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.993 
       Mackay model           :  0.997 
       Octanol/air (Koa) model:  0.999 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  96.0242 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 103.6242 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.337 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.239 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):
      0.995 (Junge-Pankow, Mackay avg)
      0.999 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  3.856E+008  L/kg (MCI method)
      Log Koc:  8.586       (MCI method)
      Koc    :  2.326E+009  L/kg (Kow method)
      Log Koc:  9.367       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.077E-002  L/mol-sec
  Kb Half-Life at pH 8:       2.040  years  
  Kb Half-Life at pH 7:      20.398  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 2.5877 days (HL = 387 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.8932)
   Log BAF Arnot-Gobas method (upper trophic) = 0.196 (BAF = 1.569)
       log Kow used: 15.38 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.31 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      2.298  hours
    Half-Life from Model Lake :      213.9  hours   (8.911 days)
 
 Removal In Wastewater Treatment:
    Total removal:              94.04  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.26  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       0.112           1.18         1000       
   Water     24.1            360          1000       
   Soil      75.8            720          1000       
   Sediment  0.00228         3.24e+003    0          
     Persistence Time: 476 hr