CAS Number: 19210-12-9
SMILES : C42(O)C(O)CC(OC(=O)C=Cc3ccccc3)(C)C4C(OC1OC(CO)C(O)C(O)C1O)OC=C2
CHEM   : 
MOL FOR: C24 H30 O11 
MOL WT : 494.50
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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 v1.68 estimate) =  -1.96
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  681.23  (Adapted Stein & Brown method)
    Melting Pt (deg C):  297.25  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.3E-020  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.73E-018  (Modified Grain method)
    Subcooled liquid VP: 1.41E-017 mm Hg (25 deg C, Mod-Grain method)
                       : 1.88E-015 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  3.649e+004
       log Kow used: -1.96 (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:
       Acrylates
       Vinyl/Allyl Ethers
       Vinyl/Allyl Alcohols
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.15E-022  atm-m3/mole  (1.16E-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:  2.318E-025 atm-m3/mole  (2.349E-020 Pa-m3/mole)
      VP:   1.3E-020 mm Hg (source: MPBPVP)
      WS:   3.65E+004 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -1.96  (KowWin est)
  Log Kaw used:  -20.328  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  18.368
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.1981
   Biowin2 (Non-Linear Model)     :   0.0019
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6182  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6793  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7650
   Biowin6 (MITI Non-Linear Model):   0.0310
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1795
 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):  1.88E-015 Pa (1.41E-017 mm Hg)
  Log Koa (Koawin est  ): 18.368
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.6E+009 
       Octanol/air (Koa) model:  5.73E+005 
   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 = 194.4634 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 197.1234 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    0.660 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    0.651 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.925000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     2.975000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =    14.288 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     9.245 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   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    :  499.6  L/kg (MCI method)
      Log Koc:  2.699       (MCI method)
      Koc    :  0.04794  L/kg (Kow method)
      Log Koc:  -1.319      (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  8.952E-003  L/mol-sec
  Kb Half-Life at pH 8:       2.454  years  
  Kb Half-Life at pH 7:      24.535  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) = -3.3081 days (HL = 0.0004919 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.8932)
   Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.8932)
       log Kow used: -1.96 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.15E-022 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.132E+019  hours   (4.717E+017 days)
    Half-Life from Model Lake : 1.235E+020  hours   (5.146E+018 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  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       0.000123        1.21         1000       
   Water     12.6            900          1000       
   Soil      87.1            1.8e+003     1000       
   Sediment  0.347           8.1e+003     0          
     Persistence Time: 1.79e+003 hr