CAS Number: 175831-77-3
SMILES : CCCCCCCCC=CCCCCCCCCOC(=O)CC(O)(C(=O)OCCCCCCCCC=CCCCCCCCC)CC(=O)OCCCCC
         CCCC=CCCCCCCCC
CHEM   : 
MOL FOR: C60 H110 O7 
MOL WT : 943.54
------------------------------ EPI SUMMARY (v4.11) --------------------------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Water Solubility (mg/L):   ------
 Physical Property Inputs:
    Vapor Pressure (mm Hg) :   ------
    Melting Point (deg C)  :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  23.26
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  893.73  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.36E-027  (Modified Grain method)
    VP (Pa, 25 deg C) :  9.81E-025  (Modified Grain method)
    Subcooled liquid VP: 3.77E-023 mm Hg (25 deg C, Mod-Grain method)
                       : 5.03E-021 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  3.518e-020
       log Kow used: 23.26 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  9.4354e-007 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.51E-004  atm-m3/mole  (3.55E+001 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:  3.529E+004 atm-m3/mole  (3.576E+009 Pa-m3/mole)
      VP:   1E-015 mm Hg (source: MPBPVP)
      WS:   3.52E-020 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  23.26  (KowWin est)
  Log Kaw used:  -1.843  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  25.103
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9622
   Biowin2 (Non-Linear Model)     :   0.9965
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2176  (months      )
   Biowin4 (Primary Survey Model) :   3.8271  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.3648
   Biowin6 (MITI Non-Linear Model):   0.9689
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6059
 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):  5.03E-021 Pa (3.77E-023 mm Hg)
  Log Koa (Koawin est  ): 25.103
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.97E+014 
       Octanol/air (Koa) model:  3.11E+012 
   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 = 234.5267 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 257.3266 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    0.547 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =   29.927 Min (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    39.000000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    60.000000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     0.705 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     0.458 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    :  1E+010  L/kg (MCI method)
      Log Koc:  13.834      (MCI method)
      Koc    :  1.771E+013  L/kg (Kow method)
      Log Koc:  13.248      (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  5.100E-003  L/mol-sec
  Kb Half-Life at pH 8:       4.306  years  
  Kb Half-Life at pH 7:      43.064  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) = 3.1802 days (HL = 1514 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: 23.26 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000351 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      8.258  hours
    Half-Life from Model Lake :      347.7  hours   (14.49 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       0.0123          0.429        1000       
   Water     13.8            1.44e+003    1000       
   Soil      86.2            2.88e+003    1000       
   Sediment  1.22e-009       1.3e+004     0          
     Persistence Time: 1.63e+003 hr