CAS Num: 019224-26-1
SMILES : O=C(OCC(OC(=O)c(cccc1)c1)C)c(cccc2)c2
CHEM   : 1,2-Propanediol, dibenzoate
MOL FOR: C17 H16 O4 
MOL WT : 284.31
------------------------------ 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) =  3.73

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  357.25  (Adapted Stein & Brown method)
    Melting Pt (deg C):  16.40  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.88E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0118  (Modified Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  9.825
       log Kow used: 3.73 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  19.003 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.88E-008  atm-m3/mole  (2.92E-003 Pa-m3/mole)
   Group Method:   3.30E-009  atm-m3/mole  (3.34E-004 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:  3.381E-006 atm-m3/mole  (3.426E-001 Pa-m3/mole)
      VP:   8.88E-005 mm Hg (source: MPBPVP)
      WS:   9.82 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.73  (KowWin est)
  Log Kaw used:  -5.929  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.659
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.2167
   Biowin2 (Non-Linear Model)     :   1.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8953  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9052  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6351
   Biowin6 (MITI Non-Linear Model):   0.6815
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4424
 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):  0.0118 Pa (8.88E-005 mm Hg)
  Log Koa (Koawin est  ): 9.659
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000253 
       Octanol/air (Koa) model:  0.00112 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00907 
       Mackay model           :  0.0199 
       Octanol/air (Koa) model:  0.0822 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   8.2311 E-12 cm3/molecule-sec
      Half-Life =     1.299 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    15.594 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.0145 (Junge-Pankow, Mackay avg)
      0.0822 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2017  L/kg (MCI method)
      Log Koc:  3.305       (MCI method)
      Koc    :  719.6  L/kg (Kow method)
      Log Koc:  2.857       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.106E-001  L/mol-sec
  Kb Half-Life at pH 8:      72.517  days   
  Kb Half-Life at pH 7:       1.985  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.130 (BCF = 134.8 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.9600 days (HL = 0.01096 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.823 (BCF = 6.653)
   Log BAF Arnot-Gobas method (upper trophic) = 0.823 (BAF = 6.653)
       log Kow used: 3.73 (estimated)

 Volatilization from Water:
    Henry LC:  3.3E-009 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 2.992E+005  hours   (1.246E+004 days)
    Half-Life from Model Lake : 3.264E+006  hours   (1.36E+005 days)

 Removal In Wastewater Treatment:
    Total removal:              19.41  percent
    Total biodegradation:        0.24  percent
    Total sludge adsorption:    19.17  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       0.0558          31.2         1000       
   Water     16.2            360          1000       
   Soil      82.7            720          1000       
   Sediment  1.07            3.24e+003    0          
     Persistence Time: 776 hr