CAS Num: 020662-84-4
SMILES : o(c(n1)C)c(c1C)C
CHEM   : Oxazole, trimethyl-
MOL FOR: C6 H9 N1 O1 
MOL WT : 111.14
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  1.86

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  142.32  (Adapted Stein & Brown method)
    Melting Pt (deg C):  2.99  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.72  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  762  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2801
       log Kow used: 1.86 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  4024.4 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   9.46E-006  atm-m3/mole  (9.58E-001 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:  2.986E-004 atm-m3/mole  (3.026E+001 Pa-m3/mole)
      VP:   5.72 mm Hg (source: MPBPVP)
      WS:   2.8E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.86  (KowWin est)
  Log Kaw used:  -3.413  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.273
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8586
   Biowin2 (Non-Linear Model)     :   0.9594
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7290  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4818  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5059
   Biowin6 (MITI Non-Linear Model):   0.5594
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2792
 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):  700 Pa (5.25 mm Hg)
  Log Koa (Koawin est  ): 5.273
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.29E-009 
       Octanol/air (Koa) model:  4.6E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.55E-007 
       Mackay model           :  3.43E-007 
       Octanol/air (Koa) model:  3.68E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   9.5080 E-12 cm3/molecule-sec
      Half-Life =     1.125 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    13.499 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      2.49E-007 (Junge-Pankow, Mackay avg)
      3.68E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  337.1  L/kg (MCI method)
      Log Koc:  2.528       (MCI method)
      Koc    :  41.1  L/kg (Kow method)
      Log Koc:  1.614       (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 = 0.892 (BCF = 7.797 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.9788 days (HL = 0.105 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.803 (BCF = 6.347)
   Log BAF Arnot-Gobas method (upper trophic) = 0.803 (BAF = 6.347)
       log Kow used: 1.86 (estimated)

 Volatilization from Water:
    Henry LC:  9.46E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      66.32  hours   (2.763 days)
    Half-Life from Model Lake :      811.9  hours   (33.83 days)

 Removal In Wastewater Treatment:
    Total removal:               2.65  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     2.03  percent
    Total to Air:                0.53  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.989           27           1000       
   Water     19.5            900          1000       
   Soil      79.2            1.8e+003     1000       
   Sediment  0.367           8.1e+003     0          
     Persistence Time: 998 hr