CAS Num: 000101-84-8
SMILES : O(c(cccc1)c1)c(cccc2)c2
CHEM   : Benzene, 1,1'-oxybis-
MOL FOR: C12 H10 O1 
MOL WT : 170.21
------------------------------ 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) =  4.05
    Log Kow (Exper. database match) =  4.21
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  269.66  (Adapted Stein & Brown method)
    Melting Pt (deg C):  35.35  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.017  (Modified Grain method)
    VP (Pa, 25 deg C) :  2.26  (Modified Grain method)
    MP  (exp database):  26.8 deg C
    BP  (exp database):  258.0 deg C
    VP  (exp database):  2.25E-02 mm Hg (3.00E+000 Pa) at 25 deg C
    Subcooled liquid VP: 0.0234 mm Hg (25 deg C, exp database VP )
                       : 3.13 Pa  (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  15.58
       log Kow used: 4.21 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  18 mg/L (25 deg C)
        Exper. Ref:  BANERJEE,S ET AL. (1980)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  22.894 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.18E-004  atm-m3/mole  (1.19E+001 Pa-m3/mole)
   Group Method:   2.81E-004  atm-m3/mole  (2.85E+001 Pa-m3/mole)
   Exper Database: 2.79E-04  atm-m3/mole  (2.83E+001 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:  2.444E-004 atm-m3/mole  (2.476E+001 Pa-m3/mole)
      VP:   0.017 mm Hg (source: MPBPVP)
      WS:   15.6 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.21  (exp database)
  Log Kaw used:  -1.943  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  6.153
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0546
   Biowin2 (Non-Linear Model)     :   0.9984
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8089  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6891  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4832
   Biowin6 (MITI Non-Linear Model):   0.5339
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4962
 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):  3.12 Pa (0.0234 mm Hg)
  Log Koa (Koawin est  ): 6.153
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.62E-007 
       Octanol/air (Koa) model:  3.49E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.47E-005 
       Mackay model           :  7.69E-005 
       Octanol/air (Koa) model:  2.79E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   9.8408 E-12 cm3/molecule-sec
      Half-Life =     1.087 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    13.043 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      5.58E-005 (Junge-Pankow, Mackay avg)
      2.79E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1918  L/kg (MCI method)
      Log Koc:  3.283       (MCI method)
      Koc    :  2040  L/kg (Kow method)
      Log Koc:  3.310       (Kow method)
       Experimental Log Koc:  3.29  (database)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.445 (BCF = 278.5 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.1471 days (HL = 0.7127 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.457 (BCF = 286.2)
   Log BAF Arnot-Gobas method (upper trophic) = 2.457 (BAF = 286.4)
       log Kow used: 4.21 (expkow database)

 Volatilization from Water:
    Henry LC:  0.000279 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      4.069  hours
    Half-Life from Model Lake :      153.8  hours   (6.408 days)

 Removal In Wastewater Treatment:
    Total removal:              45.73  percent
    Total biodegradation:        0.37  percent
    Total sludge adsorption:    38.51  percent
    Total to Air:                6.84  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.86            26.7         1000       
   Water     18.3            360          1000       
   Soil      77.7            720          1000       
   Sediment  1.15            3.24e+003    0          
     Persistence Time: 432 hr