CAS Number: 67701-30-8
SMILES : O=C(CC(C(OC(=O)CC=CCC=CCCCCCCC)O)O)O
CHEM   : Glycerides, C16-18 and C18-unsatd.
MOL FOR: C18 H30 O6 
MOL WT : 342.44
------------------------------ 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) =  3.40
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  480.78  (Adapted Stein & Brown method)
    Melting Pt (deg C):  194.43  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.03E-012  (Modified Grain method)
    VP (Pa, 25 deg C) :  5.38E-010  (Modified Grain method)
    Subcooled liquid VP: 2.43E-010 mm Hg (25 deg C, Mod-Grain method)
                       : 3.25E-008 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  21.22
       log Kow used: 3.40 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1182.8 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters-acid
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.12E-014  atm-m3/mole  (7.22E-009 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:  8.557E-014 atm-m3/mole  (8.671E-009 Pa-m3/mole)
      VP:   4.03E-012 mm Hg (source: MPBPVP)
      WS:   21.2 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.40  (KowWin est)
  Log Kaw used:  -11.536  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  14.936
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.2573
   Biowin2 (Non-Linear Model)     :   0.9990
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.5655  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.4962  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.9091
   Biowin6 (MITI Non-Linear Model):   0.8837
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6711
 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):  3.24E-008 Pa (2.43E-010 mm Hg)
  Log Koa (Koawin est  ): 14.936
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  92.6 
       Octanol/air (Koa) model:  212 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  1 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 147.4376 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 162.6376 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    0.871 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    0.789 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    26.000000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    40.000000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     1.058 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     0.688 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      1 (Junge-Pankow, Mackay avg)
      1 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  10.49  L/kg (MCI method)
      Log Koc:  1.021       (MCI method)
      Koc    :  14.06  L/kg (Kow method)
      Log Koc:  1.148       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  4.513E+000  L/mol-sec
  Kb Half-Life at pH 8:       1.777  days   
  Kb Half-Life at pH 7:      17.774  days   
    (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) = -1.3629 days (HL = 0.04336 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.246 (BCF = 17.62)
   Log BAF Arnot-Gobas method (upper trophic) = 1.246 (BAF = 17.62)
       log Kow used: 3.40 (estimated)
 
 Volatilization from Water:
    Henry LC:  7.12E-014 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.522E+010  hours   (6.34E+008 days)
    Half-Life from Model Lake :  1.66E+011  hours   (6.917E+009 days)
 
 Removal In Wastewater Treatment:
    Total removal:              10.95  percent
    Total biodegradation:        0.17  percent
    Total sludge adsorption:    10.78  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       0.0101          0.658        1000       
   Water     28.7            208          1000       
   Soil      71.3            416          1000       
   Sediment  0.0609          1.87e+003    0          
     Persistence Time: 394 hr