CAS Number: 94043-07-9
SMILES : C=CCCCCCCCCC(=O)OC1COC(C1OC(=O)CCCCCCCCC=C)C(CO)OC(=O)CCCCCCCCC=C
CHEM   : 
MOL FOR: C39 H66 O8 
MOL WT : 662.96
------------------------------ EPI SUMMARY (v4.11) --------------------------
 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) =  11.63
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  662.61  (Adapted Stein & Brown method)
    Melting Pt (deg C):  283.12  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.09E-018  (Modified Grain method)
    VP (Pa, 25 deg C) :  2.78E-016  (Modified Grain method)
    Subcooled liquid VP: 1.5E-015 mm Hg (25 deg C, Mod-Grain method)
                       : 2E-013 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  2.328e-008
       log Kow used: 11.63 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  6.6296e-007 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.37E-014  atm-m3/mole  (6.46E-009 Pa-m3/mole)
   Group Method:   3.30E-016  atm-m3/mole  (3.34E-011 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:  7.831E-011 atm-m3/mole  (7.935E-006 Pa-m3/mole)
      VP:   2.09E-018 mm Hg (source: MPBPVP)
      WS:   2.33E-008 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  11.63  (KowWin est)
  Log Kaw used:  -11.584  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  23.214
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7658
   Biowin2 (Non-Linear Model)     :   0.9713
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3061  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6978  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.2311
   Biowin6 (MITI Non-Linear Model):   0.9141
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.0477
 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):  2E-013 Pa (1.5E-015 mm Hg)
  Log Koa (Koawin est  ): 23.214
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.5E+007 
       Octanol/air (Koa) model:  4.02E+010 
   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 = 139.6609 E-12 cm3/molecule-sec
      Half-Life =     0.077 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.919 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     3.600000 E-17 cm3/molecule-sec
      Half-Life =     0.318 Days (at 7E11 mol/cm3)
      Half-Life =      7.640 Hrs
   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    :  6.097E+007  L/kg (MCI method)
      Log Koc:  7.785       (MCI method)
      Koc    :  5.306E+006  L/kg (Kow method)
      Log Koc:  6.725       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  6.423E-002  L/mol-sec
  Kb Half-Life at pH 8:     124.900  days   
  Kb Half-Life at pH 7:       3.420  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.258 (BCF = 18.1 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.5912 days (HL = 0.2563 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.8942)
   Log BAF Arnot-Gobas method (upper trophic) = -0.048 (BAF = 0.8944)
       log Kow used: 11.63 (estimated)
 
 Volatilization from Water:
    Henry LC:  6.37E-014 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 2.367E+010  hours   (9.861E+008 days)
    Half-Life from Model Lake : 2.582E+011  hours   (1.076E+010 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       0.058           1.48         1000       
   Water     16.6            900          1000       
   Soil      80.5            1.8e+003     1000       
   Sediment  2.82            8.1e+003     0          
     Persistence Time: 1.13e+003 hr