CAS Number: 882073-43-0
SMILES : CCCC1C2C(C(OC(O2)c3ccc(cc3)CCC)C(CO)O)OC(O1)c4ccc(cc4)CCC
CHEM   : 
MOL FOR: C29 H40 O6 
MOL WT : 484.64
------------------------------ 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) =  5.84
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  597.76  (Adapted Stein & Brown method)
    Melting Pt (deg C):  258.27  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.2E-016  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.6E-014  (Modified Grain method)
    Subcooled liquid VP: 4.23E-014 mm Hg (25 deg C, Mod-Grain method)
                       : 5.64E-012 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.009167
       log Kow used: 5.84 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.29856 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.43E-016  atm-m3/mole  (2.46E-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:  8.348E-015 atm-m3/mole  (8.458E-010 Pa-m3/mole)
      VP:   1.2E-016 mm Hg (source: MPBPVP)
      WS:   0.00917 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.84  (KowWin est)
  Log Kaw used:  -14.003  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  19.843
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.4458
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2637  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2314  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.2192
   Biowin6 (MITI Non-Linear Model):   0.0009
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.9851
 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):  5.64E-012 Pa (4.23E-014 mm Hg)
  Log Koa (Koawin est  ): 19.843
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.32E+005 
       Octanol/air (Koa) model:  1.71E+007 
   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 = 119.7087 E-12 cm3/molecule-sec
      Half-Life =     0.089 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.072 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    :  2380  L/kg (MCI method)
      Log Koc:  3.377       (MCI method)
      Koc    :  933.5  L/kg (Kow method)
      Log Koc:  2.970       (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 = 3.267 (BCF = 1851 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.2427 days (HL = 1.749 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.800 (BCF = 630.8)
   Log BAF Arnot-Gobas method (upper trophic) = 2.845 (BAF = 699.6)
       log Kow used: 5.84 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.43E-016 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 5.304E+012  hours   (2.21E+011 days)
    Half-Life from Model Lake : 5.786E+013  hours   (2.411E+012 days)
 
 Removal In Wastewater Treatment:
    Total removal:              91.33  percent
    Total biodegradation:        0.76  percent
    Total sludge adsorption:    90.57  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       0.0363          2.14         1000       
   Water     13.7            900          1000       
   Soil      84.4            1.8e+003     1000       
   Sediment  1.8             8.1e+003     0          
     Persistence Time: 1.45e+003 hr