CAS Number: 102-09-0
SMILES : O=C(Oc(cccc1)c1)Oc(cccc2)c2
CHEM   : Carbonic acid, diphenyl ester
MOL FOR: C13 H10 O3 
MOL WT : 214.22
------------------------------ 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) =  3.21
    Log Kow (Exper. database match) =  3.28
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  328.57  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -2.07  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000396  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0527  (Modified Grain method)
    MP  (exp database):  83 deg C
    BP  (exp database):  306 deg C
    VP  (exp database):  1.50E-04 mm Hg (2.00E-002 Pa) at 25 deg C
    Subcooled liquid VP: 0.000562 mm Hg (25 deg C, exp database VP )
                       : 0.0749 Pa  (25 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  58.37
       log Kow used: 3.28 (expkow database)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  13.853 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.48E-005  atm-m3/mole  (8.59E+000 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:  1.912E-006 atm-m3/mole  (1.938E-001 Pa-m3/mole)
      VP:   0.000396 mm Hg (source: MPBPVP)
      WS:   58.4 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.28  (exp database)
  Log Kaw used:  -2.460  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.740
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9017
   Biowin2 (Non-Linear Model)     :   0.9725
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7698  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5484  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1570
   Biowin6 (MITI Non-Linear Model):   0.0789
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3181
 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):  0.0749 Pa (0.000562 mm Hg)
  Log Koa (Koawin est  ): 5.740
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4E-005 
       Octanol/air (Koa) model:  1.35E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00144 
       Mackay model           :  0.00319 
       Octanol/air (Koa) model:  1.08E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   4.0219 E-12 cm3/molecule-sec
      Half-Life =     2.659 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    31.913 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00232 (Junge-Pankow, Mackay avg)
      1.08E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1213  L/kg (MCI method)
      Log Koc:  3.084       (MCI method)
      Koc    :  323.7  L/kg (Kow method)
      Log Koc:  2.510       (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 = 1.831 (BCF = 67.79 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.4764 days (HL = 0.3339 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.915 (BCF = 82.15)
   Log BAF Arnot-Gobas method (upper trophic) = 1.915 (BAF = 82.15)
       log Kow used: 3.28 (expkow database)
 
 Volatilization from Water:
    Henry LC:  8.48E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       11.6  hours
    Half-Life from Model Lake :      249.3  hours   (10.39 days)
 
 Removal In Wastewater Treatment:
    Total removal:              12.62  percent
    Total biodegradation:        0.15  percent
    Total sludge adsorption:     8.58  percent
    Total to Air:                3.90  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       4.08            63.8         1000       
   Water     20.9            360          1000       
   Soil      74.2            720          1000       
   Sediment  0.874           3.24e+003    0          
     Persistence Time: 459 hr