CAS Number: 127500-59-8
SMILES : Cc1cc(cc(c1C(=O)OC2CC3(C2(C(=CC4(C3CC(C4)(C)C)O)C(=O))O)C)O)OC
CHEM   : 
MOL FOR: C24 H30 O7 
MOL WT : 430.50
------------------------------ 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) =  3.64
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  540.40  (Adapted Stein & Brown method)
    Melting Pt (deg C):  231.47  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.85E-014  (Modified Grain method)
    VP (Pa, 25 deg C) :  2.46E-012  (Modified Grain method)
    Subcooled liquid VP: 3.08E-012 mm Hg (25 deg C, Mod-Grain method)
                       : 4.1E-010 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  5.868
       log Kow used: 3.64 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  63.895 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
       Phenols
       Vinyl/Allyl Alcohols
       Vinyl/Allyl Aldehydes
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.90E-016  atm-m3/mole  (6.99E-011 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:  1.786E-015 atm-m3/mole  (1.809E-010 Pa-m3/mole)
      VP:   1.85E-014 mm Hg (source: MPBPVP)
      WS:   5.87 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.64  (KowWin est)
  Log Kaw used:  -13.550  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  17.190
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5681
   Biowin2 (Non-Linear Model)     :   0.9933
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.4853  (recalcitrant)
   Biowin4 (Primary Survey Model) :   3.0867  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8662
   Biowin6 (MITI Non-Linear Model):   0.4499
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.1833
 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):  4.11E-010 Pa (3.08E-012 mm Hg)
  Log Koa (Koawin est  ): 17.190
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.31E+003 
       Octanol/air (Koa) model:  3.8E+004 
   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 = 263.6056 E-12 cm3/molecule-sec
      Half-Life =     0.041 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    29.215 Min
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.028000 E-17 cm3/molecule-sec
      Half-Life =    40.929 Days (at 7E11 mol/cm3)
   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    :  55.74  L/kg (MCI method)
      Log Koc:  1.746       (MCI method)
      Koc    :  110.5  L/kg (Kow method)
      Log Koc:  2.043       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  4.107E-002  L/mol-sec
  Kb Half-Life at pH 8:     195.336  days   
  Kb Half-Life at pH 7:       5.348  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.068 (BCF = 116.9 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.5358 days (HL = 0.02912 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.106 (BCF = 12.75)
   Log BAF Arnot-Gobas method (upper trophic) = 1.106 (BAF = 12.75)
       log Kow used: 3.64 (estimated)
 
 Volatilization from Water:
    Henry LC:  6.9E-016 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.761E+012  hours   (7.336E+010 days)
    Half-Life from Model Lake : 1.921E+013  hours   (8.003E+011 days)
 
 Removal In Wastewater Treatment:
    Total removal:              16.63  percent
    Total biodegradation:        0.21  percent
    Total sludge adsorption:    16.42  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       0.00116         0.973        1000       
   Water     20.1            4.32e+003    1000       
   Soil      79.8            8.64e+003    1000       
   Sediment  0.0972          3.89e+004    0          
     Persistence Time: 3.27e+003 hr