CAS Number: 13684-63-4
SMILES : c1ccc(C)cc1NC(=O)Oc2cccc(NC(=O)OC)c2
CHEM   : Phenmedipham
MOL FOR: C16 H16 N2 O4 
MOL WT : 300.32
------------------------------ 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) =  3.27
    Log Kow (Exper. database match) =  3.59
       Exper. Ref:  TOMLIN,C (1994)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  396.02  (Adapted Stein & Brown method)
    Melting Pt (deg C):  126.18  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.64E-007  (Modified Grain method)
    VP (Pa, 25 deg C) :  8.86E-005  (Modified Grain method)
    MP  (exp database):  143 deg C
    VP  (exp database):  1.00E-11 mm Hg (1.33E-009 Pa) at 25 deg C
    Subcooled liquid VP: 1.47E-010 mm Hg (25 deg C, exp database VP )
                       : 1.96E-008 Pa  (25 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  10.51
       log Kow used: 3.59 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  4.7 mg/L (25 deg C)
        Exper. Ref:  WAUCHOPE,RD ET AL. (1991A)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.67557 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Carbamate Esters 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.72E-011  atm-m3/mole  (5.80E-006 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 8.41E-13  atm-m3/mole  (8.52E-008 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:  2.497E-008 atm-m3/mole  (2.530E-003 Pa-m3/mole)
      VP:   6.64E-007 mm Hg (source: MPBPVP)
      WS:   10.5 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.59  (exp database)
  Log Kaw used:  -10.464  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  14.054
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8183
   Biowin2 (Non-Linear Model)     :   0.7925
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3672  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.7332  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.1606
   Biowin6 (MITI Non-Linear Model):   0.0177
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3787
 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):  1.96E-008 Pa (1.47E-010 mm Hg)
  Log Koa (Koawin est  ): 14.054
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  153 
       Octanol/air (Koa) model:  27.8 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  1 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 156.1462 E-12 cm3/molecule-sec
      Half-Life =     0.068 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.822 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1 (Junge-Pankow, Mackay avg)
      1 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2594  L/kg (MCI method)
      Log Koc:  3.414       (MCI method)
      Koc    :  621.3  L/kg (Kow method)
      Log Koc:  2.793       (Kow method)
       Experimental Log Koc:  3.53  (database)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  3.422E+002  L/mol-sec
  Kb Half-Life at pH 8:      33.755  minutes
  Kb Half-Life at pH 7:       5.626  hours  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.036 (BCF = 108.6 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.1455 days (HL = 0.07154 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.458 (BCF = 28.7)
   Log BAF Arnot-Gobas method (upper trophic) = 1.458 (BAF = 28.7)
       log Kow used: 3.59 (expkow database)
 
 Volatilization from Water:
    Henry LC:  8.41E-013 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River: 1.206E+009  hours   (5.027E+007 days)
    Half-Life from Model Lake : 1.316E+010  hours   (5.484E+008 days)
 
 Removal In Wastewater Treatment:
    Total removal:              15.25  percent
    Total biodegradation:        0.20  percent
    Total sludge adsorption:    15.04  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       6.97e-006       1.64         1000       
   Water     11.2            900          1000       
   Soil      87.1            1.8e+003     1000       
   Sediment  1.65            8.1e+003     0          
     Persistence Time: 1.87e+003 hr