CAS Number: 
SMILES : Cc1ccc(cc1C)C(=O)NC(CC(C)C)COC
CHEM   : N-[(2R)-1-methoxy-4-methyl-2-pentanyl]-3,4-dimethylbenzamide
MOL FOR: C16 H25 N1 O2 
MOL WT : 263.38
------------------------------ EPI SUMMARY (v4.00) --------------------------
 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 v1.67 estimate) =  3.84
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  396.83  (Adapted Stein & Brown method)
    Melting Pt (deg C):  145.30  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.99E-007  (Modified Grain method)
    VP (Pa, 25 deg C) :  7.98E-005  (Modified Grain method)
    Subcooled liquid VP: 9.93E-006 mm Hg (25 deg C, Mod-Grain method)
                       : 0.00132 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  10.43
       log Kow used: 3.84 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  83.289 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Amides 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.86E-010  atm-m3/mole  (2.90E-005 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  1.990E-008 atm-m3/mole  (2.017E-003 Pa-m3/mole)
      VP:   5.99E-007 mm Hg (source: MPBPVP)
      WS:   10.4 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.84  (KowWin est)
  Log Kaw used:  -7.932  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  11.772
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5943
   Biowin2 (Non-Linear Model)     :   0.4218
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4045  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5264  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1630
   Biowin6 (MITI Non-Linear Model):   0.0687
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.5373
 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):  0.00132 Pa (9.93E-006 mm Hg)
  Log Koa (Koawin est  ): 11.772
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00227 
       Octanol/air (Koa) model:  0.145 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0757 
       Mackay model           :  0.153 
       Octanol/air (Koa) model:  0.921 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  57.6734 E-12 cm3/molecule-sec
      Half-Life =     0.185 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.225 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.115 (Junge-Pankow, Mackay avg)
      0.921 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  370.2  L/kg (MCI method)
      Log Koc:  2.568       (MCI method)
      Koc    :  509.9  L/kg (Kow method)
      Log Koc:  2.707       (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 v3.00):
   Log BCF from regression-based method = 2.202 (BCF = 159.1 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.6958 days (HL = 0.2015 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.886 (BCF = 76.88)
   Log BAF Arnot-Gobas method (upper trophic) = 1.886 (BAF = 76.88)
       log Kow used: 3.84 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.86E-010 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 3.322E+006  hours   (1.384E+005 days)
    Half-Life from Model Lake : 3.624E+007  hours   (1.51E+006 days)
 
 Removal In Wastewater Treatment:
    Total removal:              23.33  percent
    Total biodegradation:        0.27  percent
    Total sludge adsorption:    23.06  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       0.00239         4.45         1000       
   Water     13.1            900          1000       
   Soil      86.6            1.8e+003     1000       
   Sediment  0.27            8.1e+003     0          
     Persistence Time: 1.76e+003 hr