CAS Number: 13684-56-5
SMILES : CCOC(=O)Nc2cccc(OC(=O)Nc1ccccc1)c2
CHEM   : Desmedipham
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) =  3.22
    Log Kow (Exper. database match) =  3.39
       Exper. Ref:  TOMLIN,C (1994)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  396.03  (Adapted Stein & Brown method)
    Melting Pt (deg C):  119.92  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.19E-006  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.000158  (Modified Grain method)
    MP  (exp database):  120 deg C
    VP  (exp database):  3.00E-09 mm Hg (4.00E-007 Pa) at 25 deg C
    Subcooled liquid VP: 2.61E-008 mm Hg (25 deg C, exp database VP )
                       : 3.48E-006 Pa  (25 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  15.57
       log Kow used: 3.39 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  7 mg/L (20 deg C)
        Exper. Ref:  SHIU,WY ET AL. (1990)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.65768 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Carbamate Esters 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.88E-011  atm-m3/mole  (6.97E-006 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 1.69E-10  atm-m3/mole  (1.71E-005 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:  3.020E-008 atm-m3/mole  (3.060E-003 Pa-m3/mole)
      VP:   1.19E-006 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:  3.39  (exp database)
  Log Kaw used:  -8.161  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  11.551
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8917
   Biowin2 (Non-Linear Model)     :   0.9284
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4641  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.8066  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.1445
   Biowin6 (MITI Non-Linear Model):   0.0224
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1418
 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):  3.48E-006 Pa (2.61E-008 mm Hg)
  Log Koa (Koawin est  ): 11.551
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.862 
       Octanol/air (Koa) model:  0.0873 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.969 
       Mackay model           :  0.986 
       Octanol/air (Koa) model:  0.875 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  91.3031 E-12 cm3/molecule-sec
      Half-Life =     0.117 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.406 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.977 (Junge-Pankow, Mackay avg)
      0.875 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2947  L/kg (MCI method)
      Log Koc:  3.469       (MCI method)
      Koc    :  481.6  L/kg (Kow method)
      Log Koc:  2.683       (Kow method)
       Experimental Log Koc:  3.18  (database)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  2.484E+002  L/mol-sec
  Kb Half-Life at pH 8:      46.499  minutes
  Kb Half-Life at pH 7:       7.750  hours  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.904 (BCF = 80.12 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.6105 days (HL = 0.02452 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.025 (BCF = 10.6)
   Log BAF Arnot-Gobas method (upper trophic) = 1.025 (BAF = 10.6)
       log Kow used: 3.39 (expkow database)
 
 Volatilization from Water:
    Henry LC:  1.69E-010 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River: 6.004E+006  hours   (2.502E+005 days)
    Half-Life from Model Lake :  6.55E+007  hours   (2.729E+006 days)
 
 Removal In Wastewater Treatment:
    Total removal:              10.76  percent
    Total biodegradation:        0.17  percent
    Total sludge adsorption:    10.60  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       0.00132         2.81         1000       
   Water     11.2            900          1000       
   Soil      86.9            1.8e+003     1000       
   Sediment  1.89            8.1e+003     0          
     Persistence Time: 1.86e+003 hr