CAS Number: 25915-57-5
SMILES : O2C(CO)C(O)C(O)C(O)C2OC1(CO)OC(COC(=O)CCCCCCCCCCC)C(OC(=O)CCCCCCCCCCC
         )C1O
CHEM   : 
MOL FOR: C36 H66 O13 
MOL WT : 706.92
------------------------------ 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) =  6.50
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  822.51  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.86E-026  (Modified Grain method)
    VP (Pa, 25 deg C) :  3.81E-024  (Modified Grain method)
    Subcooled liquid VP: 1.46E-022 mm Hg (25 deg C, Mod-Grain method)
                       : 1.95E-020 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  8.91e-005
       log Kow used: 6.50 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  8.2485 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.47E-022  atm-m3/mole  (5.55E-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:  2.986E-022 atm-m3/mole  (3.025E-017 Pa-m3/mole)
      VP:   2.86E-026 mm Hg (source: MPBPVP)
      WS:   8.91E-005 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.50  (KowWin est)
  Log Kaw used:  -19.650  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  26.150
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7026
   Biowin2 (Non-Linear Model)     :   0.3804
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2358  (weeks       )
   Biowin4 (Primary Survey Model) :   4.4179  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.5723
   Biowin6 (MITI Non-Linear Model):   0.8802
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.9892
 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):  1.95E-020 Pa (1.46E-022 mm Hg)
  Log Koa (Koawin est  ): 26.150
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.54E+014 
       Octanol/air (Koa) model:  3.47E+013 
   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 = 134.7203 E-12 cm3/molecule-sec
      Half-Life =     0.079 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.953 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   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    :  1.188E+005  L/kg (MCI method)
      Log Koc:  5.075       (MCI method)
      Koc    :  1970  L/kg (Kow method)
      Log Koc:  3.295       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  6.271E-002  L/mol-sec
  Kb Half-Life at pH 8:     127.932  days   
  Kb Half-Life at pH 7:       3.503  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.580 (BCF = 380.1 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -2.3725 days (HL = 0.004241 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.901 (BCF = 7.969)
   Log BAF Arnot-Gobas method (upper trophic) = 0.901 (BAF = 7.97)
       log Kow used: 6.50 (estimated)
 
 Volatilization from Water:
    Henry LC:  5.47E-022 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 2.846E+018  hours   (1.186E+017 days)
    Half-Life from Model Lake : 3.105E+019  hours   (1.294E+018 days)
 
 Removal In Wastewater Treatment:
    Total removal:              93.43  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    92.66  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       0.115           1.91         1000       
   Water     13.3            360          1000       
   Soil      51.7            720          1000       
   Sediment  34.9            3.24e+003    0          
     Persistence Time: 715 hr