CAS Number: 621-14-7
SMILES : O=C(Oc(cccc1)c1)CCC(=O)Oc(cccc2)c2
CHEM   : Butanedioic acid, diphenyl ester
MOL FOR: C16 H14 O4 
MOL WT : 270.29
------------------------------ 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) =  2.84
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  352.64  (Adapted Stein & Brown method)
    Melting Pt (deg C):  19.06  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.36E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00581  (Modified Grain method)
    MP  (exp database):  121 deg C
    BP  (exp database):  330 deg C
    Subcooled liquid VP: 0.000391 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0522 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  68.6
       log Kow used: 2.84 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  20.891 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.57E-008  atm-m3/mole  (7.67E-003 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:  2.260E-007 atm-m3/mole  (2.290E-002 Pa-m3/mole)
      VP:   4.36E-005 mm Hg (source: MPBPVP)
      WS:   68.6 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.84  (KowWin est)
  Log Kaw used:  -5.509  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.349
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.2234
   Biowin2 (Non-Linear Model)     :   1.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9263  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9255  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7765
   Biowin6 (MITI Non-Linear Model):   0.8423
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7138
 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):  0.0521 Pa (0.000391 mm Hg)
  Log Koa (Koawin est  ): 8.349
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.75E-005 
       Octanol/air (Koa) model:  5.48E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00207 
       Mackay model           :  0.00458 
       Octanol/air (Koa) model:  0.00437 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   4.7342 E-12 cm3/molecule-sec
      Half-Life =     2.259 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    27.112 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00333 (Junge-Pankow, Mackay avg)
      0.00437 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1207  L/kg (MCI method)
      Log Koc:  3.082       (MCI method)
      Koc    :  231.6  L/kg (Kow method)
      Log Koc:  2.365       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  9.650E-001  L/mol-sec
  Kb Half-Life at pH 8:       8.313  days   
  Kb Half-Life at pH 7:      83.129  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.540 (BCF = 34.65 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -2.2286 days (HL = 0.005907 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.622 (BCF = 4.192)
   Log BAF Arnot-Gobas method (upper trophic) = 0.622 (BAF = 4.192)
       log Kow used: 2.84 (estimated)
 
 Volatilization from Water:
    Henry LC:  7.57E-008 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.272E+004  hours   (529.9 days)
    Half-Life from Model Lake : 1.389E+005  hours   (5786 days)
 
 Removal In Wastewater Treatment:
    Total removal:               4.54  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:     4.42  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       0.883           54.2         1000       
   Water     18.5            360          1000       
   Soil      79.8            720          1000       
   Sediment  0.772           3.24e+003    0          
     Persistence Time: 661 hr