CAS Number: 145937-22-0
SMILES : CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O
         )O)O)O
CHEM   : 
MOL FOR: C33 H56 O14 
MOL WT : 676.81
------------------------------ 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) =  1.20
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  873.55  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.17E-028  (Modified Grain method)
    VP (Pa, 25 deg C) :  5.56E-026  (Modified Grain method)
    Subcooled liquid VP: 2.14E-024 mm Hg (25 deg C, Mod-Grain method)
                       : 2.85E-022 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  4.723
       log Kow used: 1.20 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.39E-024  atm-m3/mole  (1.41E-019 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:  7.863E-029 atm-m3/mole  (7.967E-024 Pa-m3/mole)
      VP:   4.17E-028 mm Hg (source: MPBPVP)
      WS:   4.72 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.20  (KowWin est)
  Log Kaw used:  -22.245  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  23.445
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5883
   Biowin2 (Non-Linear Model)     :   0.0043
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.3871  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.3659  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.1405
   Biowin6 (MITI Non-Linear Model):   0.1041
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7951
 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):  2.85E-022 Pa (2.14E-024 mm Hg)
  Log Koa (Koawin est  ): 23.445
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.05E+016 
       Octanol/air (Koa) model:  6.84E+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 = 326.9165 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 349.7165 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =   23.557 Min (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =   22.021 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 =    42.314 Min (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =    27.504 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    :  9.148E+004  L/kg (MCI method)
      Log Koc:  4.961       (MCI method)
      Koc    :  2.178  L/kg (Kow method)
      Log Koc:  0.338       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.553E-002  L/mol-sec
  Kb Half-Life at pH 8:       1.414  years  
  Kb Half-Life at pH 7:      14.145  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 0.459 (BCF = 2.877 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -3.0574 days (HL = 0.0008761 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.087 (BCF = 1.221)
   Log BAF Arnot-Gobas method (upper trophic) = 0.087 (BAF = 1.221)
       log Kow used: 1.20 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.39E-024 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.096E+021  hours   (4.566E+019 days)
    Half-Life from Model Lake : 1.195E+022  hours   (4.981E+020 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.91  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.82  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       0.047           0.372        1000       
   Water     18.3            208          1000       
   Soil      54.6            416          1000       
   Sediment  27              1.87e+003    0          
     Persistence Time: 372 hr