CAS Number: 15299-99-7
SMILES : CCN(CC)C(=O)C(C)Oc1cccc2ccccc12
CHEM   : Napropamide
MOL FOR: C17 H21 N1 O2 
MOL WT : 271.36
------------------------------ 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) =  3.33
    Log Kow (Exper. database match) =  3.36
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  399.40  (Adapted Stein & Brown method)
    Melting Pt (deg C):  140.02  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.89E-006  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.000385  (Modified Grain method)
    MP  (exp database):  75 deg C
    VP  (exp database):  1.72E-07 mm Hg (2.29E-005 Pa) at 25 deg C
    Subcooled liquid VP: 5.37E-007 mm Hg (25 deg C, exp database VP )
                       : 7.16E-005 Pa  (25 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  24.24
       log Kow used: 3.36 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  73 mg/L (20 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  11.619 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Amides 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.77E-010  atm-m3/mole  (3.82E-005 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 8.41E-10  atm-m3/mole  (8.52E-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:  4.257E-008 atm-m3/mole  (4.313E-003 Pa-m3/mole)
      VP:   2.89E-006 mm Hg (source: MPBPVP)
      WS:   24.2 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.36  (exp database)
  Log Kaw used:  -7.464  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  10.824
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9604
   Biowin2 (Non-Linear Model)     :   0.9836
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4872  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.7388  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3336
   Biowin6 (MITI Non-Linear Model):   0.1914
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.5744
 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):  7.16E-005 Pa (5.37E-007 mm Hg)
  Log Koa (Koawin est  ): 10.824
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0419 
       Octanol/air (Koa) model:  0.0164 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.602 
       Mackay model           :  0.77 
       Octanol/air (Koa) model:  0.567 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 232.3993 E-12 cm3/molecule-sec
      Half-Life =     0.046 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.552 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.686 (Junge-Pankow, Mackay avg)
      0.567 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  3218  L/kg (MCI method)
      Log Koc:  3.508       (MCI method)
      Koc    :  619.7  L/kg (Kow method)
      Log Koc:  2.792       (Kow method)
       Experimental Log Koc:  2.76  (database)
 
 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 = 1.884 (BCF = 76.55 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.1315 days (HL = 0.7388 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.133 (BCF = 135.7)
   Log BAF Arnot-Gobas method (upper trophic) = 2.133 (BAF = 135.8)
       log Kow used: 3.36 (expkow database)
 
 Volatilization from Water:
    Henry LC:  8.41E-010 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River: 1.147E+006  hours   (4.778E+004 days)
    Half-Life from Model Lake : 1.251E+007  hours   (5.213E+005 days)
 
 Removal In Wastewater Treatment:
    Total removal:              10.22  percent
    Total biodegradation:        0.16  percent
    Total sludge adsorption:    10.06  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       0.00553         1.1          1000       
   Water     11.8            900          1000       
   Soil      86              1.8e+003     1000       
   Sediment  2.17            8.1e+003     0          
     Persistence Time: 1.73e+003 hr