CAS Num: 061789-17-1
SMILES : CC(=O)(Oc1ccc(c2ccc(c3cc(OC)c(OC(=O)(C))cc3)o2)cc1OC)
CHEM   : Oils, guaiacwood, acetates
MOL FOR: C22 H20 O7 
MOL WT : 396.40
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  4.25

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  492.11  (Adapted Stein & Brown method)
    Melting Pt (deg C):  194.07  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.27E-010  (Modified Grain method)
    VP (Pa, 25 deg C) :  9.69E-008  (Modified Grain method)
    Subcooled liquid VP: 4.34E-008 mm Hg (25 deg C, Mod-Grain method)
                       : 5.79E-006 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.7624
       log Kow used: 4.25 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.29508 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.61E-011  atm-m3/mole  (1.63E-006 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:  4.974E-010 atm-m3/mole  (5.040E-005 Pa-m3/mole)
      VP:   7.27E-010 mm Hg (source: MPBPVP)
      WS:   0.762 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.25  (KowWin est)
  Log Kaw used:  -9.182  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  13.432
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.1710
   Biowin2 (Non-Linear Model)     :   1.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4874  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.8880  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6782
   Biowin6 (MITI Non-Linear Model):   0.4155
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4541
 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):  5.79E-006 Pa (4.34E-008 mm Hg)
  Log Koa (Koawin est  ): 13.432
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.518 
       Octanol/air (Koa) model:  6.64 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.949 
       Mackay model           :  0.976 
       Octanol/air (Koa) model:  0.998 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 106.8868 E-12 cm3/molecule-sec
      Half-Life =     0.100 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.201 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.963 (Junge-Pankow, Mackay avg)
      0.998 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  7881  L/kg (MCI method)
      Log Koc:  3.897       (MCI method)
      Koc    :  1805  L/kg (Kow method)
      Log Koc:  3.257       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  2.538E+000  L/mol-sec
  Kb Half-Life at pH 8:       3.161  days   
  Kb Half-Life at pH 7:      31.612  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.469 (BCF = 294.2 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.6860 days (HL = 0.2061 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.925 (BCF = 84.17)
   Log BAF Arnot-Gobas method (upper trophic) = 1.925 (BAF = 84.17)
       log Kow used: 4.25 (estimated)

 Volatilization from Water:
    Henry LC:  1.61E-011 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:  7.24E+007  hours   (3.017E+006 days)
    Half-Life from Model Lake : 7.898E+008  hours   (3.291E+007 days)

 Removal In Wastewater Treatment:
    Total removal:              42.58  percent
    Total biodegradation:        0.42  percent
    Total sludge adsorption:    42.16  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       0.00299         2.4          1000       
   Water     10.7            900          1000       
   Soil      84.5            1.8e+003     1000       
   Sediment  4.87            8.1e+003     0          
     Persistence Time: 1.89e+003 hr