CAS Num: 008002-43-5
SMILES : O=C(CCCCCCCC=CCC=CCCCCC)OC(COP(O)(OCCN(H)(C)(C)C)=O)COC(=O)(CCCCCCCC=
         CCC=CCCCCCC)
CHEM   : Lecithins
MOL FOR: C45 H84 N1 O8 P1 
MOL WT : 798.15
------------------------------ 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) =  13.41

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  480.00  (Adapted Stein & Brown method)
    Melting Pt (deg C):  90.27  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.78E-010  (Modified Grain method)
    VP (Pa, 25 deg C) :  2.38E-008  (Modified Grain method)
    Subcooled liquid VP: 7.58E-010 mm Hg (25 deg C, Mod-Grain method)
                       : 1.01E-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):  2.751e-011
       log Kow used: 13.41 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  7.9815e-007 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.54E-022  atm-m3/mole  (2.57E-017 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:  6.795E+000 atm-m3/mole  (6.885E+005 Pa-m3/mole)
      VP:   1.78E-010 mm Hg (source: MPBPVP)
      WS:   2.75E-011 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  13.41  (KowWin est)
  Log Kaw used:  -19.984  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  33.394
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9328
   Biowin2 (Non-Linear Model)     :   0.9713
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3125  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6923  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4498
   Biowin6 (MITI Non-Linear Model):   0.0637
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2916
 Ready Biodegradability Prediction:   NO

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1.01E-007 Pa (7.58E-010 mm Hg)
  Log Koa (Koawin est  ): 33.394
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  29.7 
       Octanol/air (Koa) model:  6.08E+020 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.999 
       Mackay model           :  1 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 324.8577 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 355.2577 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =   23.706 Min (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =   21.678 Min (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    52.000000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    80.000000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =    31.735 Min (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =    20.628 Min (at 7E11 mol/cm3) [Trans-isomer]
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.999 (Junge-Pankow, Mackay avg)
      1 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2.943E+009  L/kg (MCI method)
      Log Koc:  9.469       (MCI method)
      Koc    :  1.689E+008  L/kg (Kow method)
      Log Koc:  8.228       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  8.345E-002  L/mol-sec
  Kb Half-Life at pH 8:      96.126  days   
  Kb Half-Life at pH 7:       2.632  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.850 (BCF = 70.79 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.6099 days (HL = 40.73 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.048 (BCF = 0.8959)
   Log BAF Arnot-Gobas method (upper trophic) = 0.606 (BAF = 4.036)
       log Kow used: 13.41 (estimated)

 Volatilization from Water:
    Henry LC:  2.54E-022 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 6.512E+018  hours   (2.713E+017 days)
    Half-Life from Model Lake : 7.104E+019  hours   (2.96E+018 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       2.11e-012       0.317        1000       
   Water     10.9            900          1000       
   Soil      87.6            1.8e+003     1000       
   Sediment  1.49            8.1e+003     0          
     Persistence Time: 1.88e+003 hr