CAS Number: 120-55-8
SMILES : O=C(OCCOCCOC(=O)c(cccc1)c1)c(cccc2)c2
CHEM   : Ethanol, 2,2 -oxybis-, dibenzoate
MOL FOR: C18 H18 O5 
MOL WT : 314.34
------------------------------ 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) =  3.04
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  387.90  (Adapted Stein & Brown method)
    Melting Pt (deg C):  59.80  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0796  (Modified Grain method)
    VP (Pa, 25 deg C) :  10.6  (Modified Grain method)
    MP  (exp database):  33.5 deg C
    BP  (exp database):  225 deg C
    Subcooled liquid VP: 0.0949 mm Hg (25 deg C, Mod-Grain method)
                       : 12.7 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  25.61
       log Kow used: 3.04 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  68.51 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.38E-010  atm-m3/mole  (3.42E-005 Pa-m3/mole)
   Group Method:   3.01E-012  atm-m3/mole  (3.05E-007 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:  1.286E-003 atm-m3/mole  (1.303E+002 Pa-m3/mole)
      VP:   0.0796 mm Hg (source: MPBPVP)
      WS:   25.6 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.04  (KowWin est)
  Log Kaw used:  -7.860  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.900
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8551
   Biowin2 (Non-Linear Model)     :   0.9990
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8203  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8522  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7458
   Biowin6 (MITI Non-Linear Model):   0.7605
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5086
 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):  12.7 Pa (0.0949 mm Hg)
  Log Koa (Koawin est  ): 10.900
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.37E-007 
       Octanol/air (Koa) model:  0.0195 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.56E-006 
       Mackay model           :  1.9E-005 
       Octanol/air (Koa) model:  0.609 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  18.9525 E-12 cm3/molecule-sec
      Half-Life =     0.564 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.772 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.38E-005 (Junge-Pankow, Mackay avg)
      0.609 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1023  L/kg (MCI method)
      Log Koc:  3.010       (MCI method)
      Koc    :  242.6  L/kg (Kow method)
      Log Koc:  2.385       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.645E-001  L/mol-sec
  Kb Half-Life at pH 8:      48.770  days   
  Kb Half-Life at pH 7:       1.335  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.673 (BCF = 47.12 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -2.2543 days (HL = 0.005569 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.785 (BCF = 6.089)
   Log BAF Arnot-Gobas method (upper trophic) = 0.785 (BAF = 6.089)
       log Kow used: 3.04 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.01E-012 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 3.449E+008  hours   (1.437E+007 days)
    Half-Life from Model Lake : 3.762E+009  hours   (1.568E+008 days)
 
 Removal In Wastewater Treatment:
    Total removal:               6.04  percent
    Total biodegradation:        0.13  percent
    Total sludge adsorption:     5.92  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       5.24e-005       13.5         1000       
   Water     16.3            360          1000       
   Soil      83.2            720          1000       
   Sediment  0.586           3.24e+003    0          
     Persistence Time: 783 hr