CAS Num: 065894-83-9
SMILES : N(=C(C(S1)C)C)C1CC(C)C
CHEM   : Thiazole, 2,5-dihydro-4,5-dimethyl-2-(2-methylpropyl)-
MOL FOR: C9 H17 N1 S1 
MOL WT : 171.30
------------------------------ 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) =  4.56

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  223.10  (Adapted Stein & Brown method)
    Melting Pt (deg C):  35.06  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.18  (Modified Grain method)
    VP (Pa, 25 deg C) :  24.1  (Modified Grain method)
    BP  (exp database):  208 deg C
    Subcooled liquid VP: 0.222 mm Hg (25 deg C, Mod-Grain method)
                       : 29.6 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  7.73
       log Kow used: 4.56 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  8.4026 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.84E-002  atm-m3/mole  (5.92E+003 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:  5.249E-003 atm-m3/mole  (5.318E+002 Pa-m3/mole)
      VP:   0.18 mm Hg (source: MPBPVP)
      WS:   7.73 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.56  (KowWin est)
  Log Kaw used:  0.378  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.182
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6660
   Biowin2 (Non-Linear Model)     :   0.6402
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8206  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6006  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2278
   Biowin6 (MITI Non-Linear Model):   0.0935
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4568
 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):  29.6 Pa (0.222 mm Hg)
  Log Koa (Koawin est  ): 4.182
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.01E-007 
       Octanol/air (Koa) model:  3.73E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.66E-006 
       Mackay model           :  8.11E-006 
       Octanol/air (Koa) model:  2.99E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  29.9922 E-12 cm3/molecule-sec
      Half-Life =     0.357 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.280 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      5.88E-006 (Junge-Pankow, Mackay avg)
      2.99E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1796  L/kg (MCI method)
      Log Koc:  3.254       (MCI method)
      Koc    :  9062  L/kg (Kow method)
      Log Koc:  3.957       (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 = 2.676 (BCF = 474.1 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.2638 days (HL = 1.836 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.803 (BCF = 635.2)
   Log BAF Arnot-Gobas method (upper trophic) = 2.806 (BAF = 639.2)
       log Kow used: 4.56 (estimated)

 Volatilization from Water:
    Henry LC:  0.0584 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.349  hours
    Half-Life from Model Lake :      124.5  hours   (5.186 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              96.99  percent
    Total biodegradation:        0.14  percent
    Total sludge adsorption:    37.10  percent
    Total to Air:               59.76  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       6.72            8.56         1000       
   Water     48.9            360          1000       
   Soil      41.4            720          1000       
   Sediment  2.9             3.24e+003    0          
     Persistence Time: 126 hr