CAS Number: 90899-20-0
SMILES : C=Cc1ccc(cc1)OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O
CHEM   : 
MOL FOR: C19 H26 O10 
MOL WT : 414.41
------------------------------ EPI SUMMARY (v4.11) --------------------------
 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) =  -1.16
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  615.06  (Adapted Stein & Brown method)
    Melting Pt (deg C):  266.35  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.01E-018  (Modified Grain method)
    VP (Pa, 25 deg C) :  8.01E-016  (Modified Grain method)
    Subcooled liquid VP: 2.67E-015 mm Hg (25 deg C, Mod-Grain method)
                       : 3.56E-013 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  2.418e+004
       log Kow used: -1.16 (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:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.59E-022  atm-m3/mole  (5.66E-017 Pa-m3/mole)
   Group Method:   2.34E-037  atm-m3/mole  (2.37E-032 Pa-m3/mole)
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  1.355E-022 atm-m3/mole  (1.373E-017 Pa-m3/mole)
      VP:   6.01E-018 mm Hg (source: MPBPVP)
      WS:   2.42E+004 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -1.16  (KowWin est)
  Log Kaw used:  -19.641  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  18.481
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5925
   Biowin2 (Non-Linear Model)     :   0.0146
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1591  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0744  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8783
   Biowin6 (MITI Non-Linear Model):   0.0875
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6977
 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):  3.56E-013 Pa (2.67E-015 mm Hg)
  Log Koa (Koawin est  ): 18.481
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.43E+006 
       Octanol/air (Koa) model:  7.43E+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 = 158.3790 E-12 cm3/molecule-sec
      Half-Life =     0.068 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.810 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     2.100000 E-17 cm3/molecule-sec
      Half-Life =     0.546 Days (at 7E11 mol/cm3)
      Half-Life =     13.097 Hrs
   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    :  74.16  L/kg (MCI method)
      Log Koc:  1.870       (MCI method)
      Koc    :  0.1757  L/kg (Kow method)
      Log Koc:  -0.755      (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
    Rate constants can NOT be estimated for this structure!
 
 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) = -2.2719 days (HL = 0.005346 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.048 (BCF = 0.8944)
   Log BAF Arnot-Gobas method (upper trophic) = -0.048 (BAF = 0.8944)
       log Kow used: -1.16 (estimated)
 
 Volatilization from Water:
    Henry LC:  5.59E-022 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 2.132E+018  hours   (8.884E+016 days)
    Half-Life from Model Lake : 2.326E+019  hours   (9.692E+017 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       6.37e-006       1.44         1000       
   Water     20.3            360          1000       
   Soil      79.6            720          1000       
   Sediment  0.0985          3.24e+003    0          
     Persistence Time: 735 hr