CAS Num: 097676-19-2
SMILES : CCC=CCC=CCC=CCCCCCCCC(=O)OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COC(=O)CCCCCC
         CC=CCC=CCC=CCC
CHEM   : Oils, currant, Ribes nigrum
MOL FOR: C57 H92 O6 
MOL WT : 873.37
------------------------------ 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) =  22.00

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  850.68  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.57E-021  (Modified Grain method)
    VP (Pa, 25 deg C) :  3.43E-019  (Modified Grain method)
    Subcooled liquid VP: 1.32E-017 mm Hg (25 deg C, Mod-Grain method)
                       : 1.76E-015 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3.894e-019
       log Kow used: 22.00 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  8.7337e-007 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.45E-004  atm-m3/mole  (4.51E+001 Pa-m3/mole)
   Group Method:   4.88E-009  atm-m3/mole  (4.95E-004 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:  2.951E+003 atm-m3/mole  (2.990E+008 Pa-m3/mole)
      VP:   1E-015 mm Hg (source: MPBPVP)
      WS:   3.89E-019 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  22.00  (KowWin est)
  Log Kaw used:  -1.740  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  23.740
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.1796
   Biowin2 (Non-Linear Model)     :   0.9998
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5848  (weeks-months)
   Biowin4 (Primary Survey Model) :   4.0818  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7884
   Biowin6 (MITI Non-Linear Model):   0.2436
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4979
 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):  1.76E-015 Pa (1.32E-017 mm Hg)
  Log Koa (Koawin est  ): 23.740
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.7E+009 
       Octanol/air (Koa) model:  1.35E+011 
   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 = 550.5906 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 618.9907 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =   13.987 Min (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =   12.441 Min (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =   117.000000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =   180.000000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =    14.105 Min (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     9.168 Min (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    :  1E+010  L/kg (MCI method)
      Log Koc:  14.181      (MCI method)
      Koc    :  9.178E+012  L/kg (Kow method)
      Log Koc:  12.963      (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.455E-001  L/mol-sec
  Kb Half-Life at pH 8:      55.135  days   
  Kb Half-Life at pH 7:       1.510  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 3.9032 days (HL = 8002 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.893)
   Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.893)
       log Kow used: 22.00 (estimated)

 Volatilization from Water:
    Henry LC:  4.88E-009 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 3.546E+005  hours   (1.477E+004 days)
    Half-Life from Model Lake : 3.868E+006  hours   (1.612E+005 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       0.00703         0.156        1000       
   Water     17.8            900          1000       
   Soil      82.2            1.8e+003     1000       
   Sediment  2.13e-008       8.1e+003     0          
     Persistence Time: 1.06e+003 hr