CAS Number: 25168-73-4
SMILES : O2C(CO)C(O)C(O)C(O)C2OC1(CO)OC(COC(=O)CCCCCCCCCCCCCCCCC)C(O)C1O
CHEM   : a-D-Glucopyranoside,  -D-fructofuranosyl, monooctadecanoate
MOL FOR: C30 H56 O12 
MOL WT : 608.77
------------------------------ EPI SUMMARY (v4.00) --------------------------
 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 v1.67 estimate) =  4.38
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  783.18  (Adapted Stein & Brown method)
    Melting Pt (deg C):  344.88  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.37E-025  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.12E-022  (Modified Grain method)
    Subcooled liquid VP: 3.7E-021 mm Hg (25 deg C, Mod-Grain method)
                       : 4.93E-019 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.02569
       log Kow used: 4.38 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  22197 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.71E-021  atm-m3/mole  (2.74E-016 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:  2.610E-023 atm-m3/mole  (2.644E-018 Pa-m3/mole)
      VP:   8.37E-025 mm Hg (source: MPBPVP)
      WS:   0.0257 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.38  (KowWin est)
  Log Kaw used:  -18.955  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  23.335
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6254
   Biowin2 (Non-Linear Model)     :   0.0199
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1741  (weeks       )
   Biowin4 (Primary Survey Model) :   4.1909  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.4836
   Biowin6 (MITI Non-Linear Model):   0.8386
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.2434
 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):  4.93E-019 Pa (3.7E-021 mm Hg)
  Log Koa (Koawin est  ): 23.335
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.08E+012 
       Octanol/air (Koa) model:  5.31E+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 = 133.9309 E-12 cm3/molecule-sec
      Half-Life =     0.080 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.958 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    :  3.827E+004  L/kg (MCI method)
      Log Koc:  4.583       (MCI method)
      Koc    :  154  L/kg (Kow method)
      Log Koc:  2.188       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  6.204E-002  L/mol-sec
  Kb Half-Life at pH 8:     129.295  days   
  Kb Half-Life at pH 7:       3.540  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.181 (BCF = 15.18 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -2.4493 days (HL = 0.003554 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.100 (BCF = 12.59)
   Log BAF Arnot-Gobas method (upper trophic) = 1.100 (BAF = 12.59)
       log Kow used: 4.38 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.71E-021 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 5.331E+017  hours   (2.221E+016 days)
    Half-Life from Model Lake : 5.815E+018  hours   (2.423E+017 days)
 
 Removal In Wastewater Treatment:
    Total removal:              49.60  percent
    Total biodegradation:        0.47  percent
    Total sludge adsorption:    49.12  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       0.14            1.92         1000       
   Water     17.9            360          1000       
   Soil      62.7            720          1000       
   Sediment  19.3            3.24e+003    0          
     Persistence Time: 591 hr