CAS Number: 25339-99-5
SMILES : O=C(OCC(OC(OC(OC(C(O)C1O)CO)C1O)(C2O)CO)C2O)CCCCCCCCCCC
CHEM   : SUCROSE MONOLAURATE
MOL FOR: C24 H44 O12 
MOL WT : 524.61
------------------------------ 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) =  1.43
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  713.56  (Adapted Stein & Brown method)
    Melting Pt (deg C):  312.36  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.25E-022  (Modified Grain method)
    VP (Pa, 25 deg C) :  8.33E-020  (Modified Grain method)
    Subcooled liquid VP: 1.05E-018 mm Hg (25 deg C, Mod-Grain method)
                       : 1.4E-016 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  29.8
       log Kow used: 1.43 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.95E-022  atm-m3/mole  (5.01E-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:  1.448E-023 atm-m3/mole  (1.467E-018 Pa-m3/mole)
      VP:   6.25E-022 mm Hg (source: MPBPVP)
      WS:   29.8 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.43  (KowWin est)
  Log Kaw used:  -19.694  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  21.124
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6655
   Biowin2 (Non-Linear Model)     :   0.0627
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.3601  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.3124  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.4375
   Biowin6 (MITI Non-Linear Model):   0.8177
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.0875
 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):  1.4E-016 Pa (1.05E-018 mm Hg)
  Log Koa (Koawin est  ): 21.124
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.14E+010 
       Octanol/air (Koa) model:  3.27E+008 
   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 = 125.4526 E-12 cm3/molecule-sec
      Half-Life =     0.085 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.023 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    :  1045  L/kg (MCI method)
      Log Koc:  3.019       (MCI method)
      Koc    :  3.596  L/kg (Kow method)
      Log Koc:  0.556       (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 = 0.611 (BCF = 4.087 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -3.2843 days (HL = 0.0005197 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.149 (BCF = 1.411)
   Log BAF Arnot-Gobas method (upper trophic) = 0.149 (BAF = 1.411)
       log Kow used: 1.43 (estimated)
 
 Volatilization from Water:
    Henry LC:  4.95E-022 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 2.709E+018  hours   (1.129E+017 days)
    Half-Life from Model Lake : 2.955E+019  hours   (1.231E+018 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.95  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.86  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       0.0273          2.05         1000       
   Water     19.1            208          1000       
   Soil      80.4            416          1000       
   Sediment  0.484           1.87e+003    0          
     Persistence Time: 442 hr