CAS Number: 77732-09-3
SMILES : Cc1cccc(C)c1N(C(=O)COC)N2C(=O)OCC2
CHEM   : Acetamide, (2,6-dimethylphenyl)-2-methoxy-N-(2-oxo-3-oxazolidinyl)-
MOL FOR: C14 H18 N2 O4 
MOL WT : 278.31
------------------------------ 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) =  1.40
    Log Kow (Exper. database match) =  0.80
       Exper. Ref:  TOMLIN,C (1997)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  437.03  (Adapted Stein & Brown method)
    Melting Pt (deg C):  173.03  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.74E-007  (Modified Grain method)
    VP (Pa, 25 deg C) :  2.32E-005  (Modified Grain method)
    MP  (exp database):  104 deg C
    VP  (exp database):  2.48E-08 mm Hg (3.31E-006 Pa) at 20 deg C
    Subcooled liquid VP: 1.5E-007 mm Hg (20 deg C, exp database VP )
                       : 2E-005 Pa  (20 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  3398
       log Kow used: 0.80 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  3400 mg/L (20 deg C)
        Exper. Ref:  TOMLIN,C (1997)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  60470 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Hydrazines
       Amides 
       Carbamate Esters 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.27E-010  atm-m3/mole  (4.33E-005 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 2.67E-12  atm-m3/mole  (2.71E-007 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:  1.875E-011 atm-m3/mole  (1.900E-006 Pa-m3/mole)
      VP:   1.74E-007 mm Hg (source: MPBPVP)
      WS:   3.4E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.80  (exp database)
  Log Kaw used:  -9.962  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  10.762
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3770
   Biowin2 (Non-Linear Model)     :   0.0385
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4258  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2994  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0825
   Biowin6 (MITI Non-Linear Model):   0.0237
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.7446
 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):  2E-005 Pa (1.5E-007 mm Hg)
  Log Koa (Koawin est  ): 10.762
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.15 
       Octanol/air (Koa) model:  0.0142 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.844 
       Mackay model           :  0.923 
       Octanol/air (Koa) model:  0.532 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  35.7768 E-12 cm3/molecule-sec
      Half-Life =     0.299 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.588 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.884 (Junge-Pankow, Mackay avg)
      0.532 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  97.18  L/kg (MCI method)
      Log Koc:  1.988       (MCI method)
      Koc    :  14.04  L/kg (Kow method)
      Log Koc:  1.147       (Kow method)
 
 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 = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.0131 days (HL = 0.09702 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.153 (BCF = 1.423)
   Log BAF Arnot-Gobas method (upper trophic) = 0.153 (BAF = 1.423)
       log Kow used: 0.80 (expkow database)
 
 Volatilization from Water:
    Henry LC:  2.67E-012 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River: 3.658E+008  hours   (1.524E+007 days)
    Half-Life from Model Lake : 3.991E+009  hours   (1.663E+008 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.87  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.78  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       2.68e-005       7.18         1000       
   Water     17.4            900          1000       
   Soil      82.5            1.8e+003     1000       
   Sediment  0.114           8.1e+003     0          
     Persistence Time: 1.6e+003 hr